4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid

C20H29N3O3 — CID 95882475

IUPAC4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1
InChIInChI=1S/C20H29N3O3/c1-19(2,3)16-8-11-23(21-16)20(18(25)26)9-12-22(13-10-20)17(24)14-15-6-4-5-7-15/h4,6,8,11,15H,5,7,9-10,12-14H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyQCLUQIFNXVUMAD-OAHLLOKOSA-N
MW359.47 g/mol
LogP2.94
Rot. Bonds4

About 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid

4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 95882475) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID95882475
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1
InChIInChI=1S/C20H29N3O3/c1-19(2,3)16-8-11-23(21-16)20(18(25)26)9-12-22(13-10-20)17(24)14-15-6-4-5-7-15/h4,6,8,11,15H,5,7,9-10,12-14H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyQCLUQIFNXVUMAD-OAHLLOKOSA-N
XLogP2.94
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95882974
4-(3-tert-butylpyrazol-1-yl)-1-(cyclohex-3-ene-1-carbonyl)piperidine-4-carboxylic acid
CID 56912077
4-(3-tert-butylpyrazol-1-yl)-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxylic acid
CID 56906206
4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid
CID 56884134
4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 56887803
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323252
1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 95897711
2-cyclopent-2-en-1-yl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727159
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9368511
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone
CID 95325711
1-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 25474366
2-cyclopent-2-en-1-yl-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]ethanone
CID 122133256

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid (CID 95882475) is 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid is CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1.
What is the InChIKey of 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QCLUQIFNXVUMAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-19(2,3)16-8-11-23(21-16)20(18(25)26)9-12-22(13-10-20)17(24)14-15-6-4-5-7-15/h4,6,8,11,15H,5,7,9-10,12-14H2,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid?
4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95882475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).