(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid

C13H20N2O3 — CID 81123190

IUPAC(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)NC2CC=CCC2)C1
InChIInChI=1S/C13H20N2O3/c16-12(17)10-5-4-8-15(9-10)13(18)14-11-6-2-1-3-7-11/h1-2,10-11H,3-9H2,(H,14,18)(H,16,17)/t10-,11?/m0/s1
InChIKeyUDQQKCSZFGGYFQ-VUWPPUDQSA-N
MW252.31 g/mol
LogP1.60
Rot. Bonds2

About (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81123190) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81123190
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)NC2CC=CCC2)C1
InChIInChI=1S/C13H20N2O3/c16-12(17)10-5-4-8-15(9-10)13(18)14-11-6-2-1-3-7-11/h1-2,10-11H,3-9H2,(H,14,18)(H,16,17)/t10-,11?/m0/s1
InChIKeyUDQQKCSZFGGYFQ-VUWPPUDQSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-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

(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 83020304
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81123190) is (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)NC2CC=CCC2)C1.
What is the InChIKey of (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is UDQQKCSZFGGYFQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(17)10-5-4-8-15(9-10)13(18)14-11-6-2-1-3-7-11/h1-2,10-11H,3-9H2,(H,14,18)(H,16,17)/t10-,11?/m0/s1.
What are the key properties of (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81123190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).