4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one

C18H27N3O2 — CID 138379684

IUPAC4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCN(CC(=O)N1CCC(c2cc[nH]c(=O)c2)CC1)C1CCCC1
InChIInChI=1S/C18H27N3O2/c1-20(16-4-2-3-5-16)13-18(23)21-10-7-14(8-11-21)15-6-9-19-17(22)12-15/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H,19,22)
InChIKeyCRPHAEYPVFOMNN-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.96
Rot. Bonds4

About 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138379684) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138379684
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCN(CC(=O)N1CCC(c2cc[nH]c(=O)c2)CC1)C1CCCC1
InChIInChI=1S/C18H27N3O2/c1-20(16-4-2-3-5-16)13-18(23)21-10-7-14(8-11-21)15-6-9-19-17(22)12-15/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H,19,22)
InChIKeyCRPHAEYPVFOMNN-UHFFFAOYSA-N
XLogP1.96
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138379684) is 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one is CN(CC(=O)N1CCC(c2cc[nH]c(=O)c2)CC1)C1CCCC1.
What is the InChIKey of 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is CRPHAEYPVFOMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(16-4-2-3-5-16)13-18(23)21-10-7-14(8-11-21)15-6-9-19-17(22)12-15/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H,19,22).
What are the key properties of 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138379684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).