1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid

C17H24N4O3 — CID 139020191

IUPAC1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(C(=O)NCC3C=CCC3)C2)cn1
InChIInChI=1S/C17H24N4O3/c1-20-9-15(8-19-20)13-6-14(16(22)23)11-21(10-13)17(24)18-7-12-4-2-3-5-12/h2,4,8-9,12-14H,3,5-7,10-11H2,1H3,(H,18,24)(H,22,23)
InChIKeyOXDULFAEELPYLQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.59
Rot. Bonds4

About 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid

1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid (PubChem CID 139020191) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
PubChem CID139020191
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(C(=O)NCC3C=CCC3)C2)cn1
InChIInChI=1S/C17H24N4O3/c1-20-9-15(8-19-20)13-6-14(16(22)23)11-21(10-13)17(24)18-7-12-4-2-3-5-12/h2,4,8-9,12-14H,3,5-7,10-11H2,1H3,(H,18,24)(H,22,23)
InChIKeyOXDULFAEELPYLQ-UHFFFAOYSA-N
XLogP1.59
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
CID 138031553
5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 146137397
5-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-3-carboxylic acid
CID 146137403
5-(1-methylpyrazol-4-yl)-1-(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)piperidine-3-carboxylic acid
CID 139020267
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 167898509
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123820
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid (CID 139020191) is 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid is Cn1cc(C2CC(C(=O)O)CN(C(=O)NCC3C=CCC3)C2)cn1.
What is the InChIKey of 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
The InChIKey is OXDULFAEELPYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-9-15(8-19-20)13-6-14(16(22)23)11-21(10-13)17(24)18-7-12-4-2-3-5-12/h2,4,8-9,12-14H,3,5-7,10-11H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 139020191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).