2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide

C18H25N5O — CID 134031843

IUPAC2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C18H25N5O/c1-14(18(24)21-16-6-2-3-7-16)22-9-11-23(12-10-22)17-15(13-19)5-4-8-20-17/h4-5,8,14,16H,2-3,6-7,9-12H2,1H3,(H,21,24)
InChIKeyCETRSCLNZPUYEI-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide (PubChem CID 134031843) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
PubChem CID134031843
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C18H25N5O/c1-14(18(24)21-16-6-2-3-7-16)22-9-11-23(12-10-22)17-15(13-19)5-4-8-20-17/h4-5,8,14,16H,2-3,6-7,9-12H2,1H3,(H,21,24)
InChIKeyCETRSCLNZPUYEI-UHFFFAOYSA-N
XLogP1.52
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
CID 78829253
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
tert-butyl 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanoate
CID 122141420
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 134032020
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 78841880
N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 78841981
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide
CID 136516128
1-[4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 55513437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide (CID 134031843) is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide?
The InChIKey is CETRSCLNZPUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(18(24)21-16-6-2-3-7-16)22-9-11-23(12-10-22)17-15(13-19)5-4-8-20-17/h4-5,8,14,16H,2-3,6-7,9-12H2,1H3,(H,21,24).
What are the key properties of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide?
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide has a molecular weight of 327.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 134031843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).