1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid

C12H17NO3 — CID 64767255

IUPAC1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C12H17NO3/c14-11(9-4-1-2-5-9)13-7-3-6-10(8-13)12(15)16/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyCWBFQTYHXMPEGA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.28
Rot. Bonds2

About 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid

1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 64767255) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID64767255
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C12H17NO3/c14-11(9-4-1-2-5-9)13-7-3-6-10(8-13)12(15)16/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyCWBFQTYHXMPEGA-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81123190

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid (CID 64767255) is 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CC=CC2)C1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CWBFQTYHXMPEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(9-4-1-2-5-9)13-7-3-6-10(8-13)12(15)16/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid?
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 64767255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).