4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C20H26N4O2 — CID 50779382

IUPAC4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1
InChIInChI=1S/C20H26N4O2/c21-15-16-5-7-17(8-6-16)20(26)24(18-3-1-2-4-18)12-9-19(25)23-13-10-22-11-14-23/h5-8,18,22H,1-4,9-14H2
InChIKeyQHXJZQCGKAWOAR-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.76
Rot. Bonds5

About 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779382) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779382
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1
InChIInChI=1S/C20H26N4O2/c21-15-16-5-7-17(8-6-16)20(26)24(18-3-1-2-4-18)12-9-19(25)23-13-10-22-11-14-23/h5-8,18,22H,1-4,9-14H2
InChIKeyQHXJZQCGKAWOAR-UHFFFAOYSA-N
XLogP1.76
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
4-cyano-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146071292
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146057453
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
CID 79701617

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779382) is 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is N#Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is QHXJZQCGKAWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-15-16-5-7-17(8-6-16)20(26)24(18-3-1-2-4-18)12-9-19(25)23-13-10-22-11-14-23/h5-8,18,22H,1-4,9-14H2.
What are the key properties of 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).