2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzamide

Update Time: 2025-04-25 16:31:57

	Common Name	2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzamide	English Name	2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzamide
	CAS NO.	N/A	Molecular Weight	401.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₂₇N₅O	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzamide

Molecular Formula	C24H27N5O
Molecular Weight	401.5
Exact Mass	401.22156050
LogP	3.20
Standard SMILES	N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4C(N)=O)CC3)c2c1
Canonical SMILES	C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC=C4C(=O)N
Isomeric SMILES	C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC=C4C(=O)N
Standard InChI Identifier	InChI=1S/C24H27N5O/c25-16-18-8-9-22-21(15-18)19(17-27-22)5-3-4-10-28-11-13-29(14-12-28)23-7-2-1-6-20(23)24(26)30/h1-2,6-9,15,17,27H,3-5,10-14H2,(H2,26,30)
Standard InChI Key	FQMVBOXQWIUSJR-UHFFFAOYSA-N
Compound Complexity	622.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：2 Rotatable Bond Count：7 Heavy Atom Count：30 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：401.22156050