3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H18N2O4 — CID 103550647

IUPAC3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C12H18N2O4/c15-10(7-3-4-8(6-7)12(17)18)14-9-2-1-5-13-11(9)16/h7-9H,1-6H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyPAKHKENUWBCBPZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.12
Rot. Bonds3

About 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550647) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550647
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C12H18N2O4/c15-10(7-3-4-8(6-7)12(17)18)14-9-2-1-5-13-11(9)16/h7-9H,1-6H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyPAKHKENUWBCBPZ-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 164653754
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
4,6-dimethyl-N-(2-oxopiperidin-3-yl)piperidine-2-carboxamide
CID 114269609
4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 62783041
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
4-hydroxy-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55033395
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550647) is 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCCNC2=O)C1.
What is the InChIKey of 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PAKHKENUWBCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10(7-3-4-8(6-7)12(17)18)14-9-2-1-5-13-11(9)16/h7-9H,1-6H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).