1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C16H21N3O3 — CID 95882974

IUPAC1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(C[C@@H]1C=CCC1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C16H21N3O3/c20-14(12-13-4-1-2-5-13)18-10-6-16(7-11-18,15(21)22)19-9-3-8-17-19/h1,3-4,8-9,13H,2,5-7,10-12H2,(H,21,22)/t13-/m1/s1
InChIKeyOXZRVGSDCLNURI-CYBMUJFWSA-N
MW303.36 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 95882974) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID95882974
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(C[C@@H]1C=CCC1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C16H21N3O3/c20-14(12-13-4-1-2-5-13)18-10-6-16(7-11-18,15(21)22)19-9-3-8-17-19/h1,3-4,8-9,13H,2,5-7,10-12H2,(H,21,22)/t13-/m1/s1
InChIKeyOXZRVGSDCLNURI-CYBMUJFWSA-N
XLogP1.64
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
CID 95882475
1-[(1R)-cyclohex-3-ene-1-carbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95888744
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323252
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-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56890003
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 56891314
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
N,N-dimethyl-1-[2-(oxan-4-yl)acetyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873079
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602618
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602617

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 95882974) is 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(C[C@@H]1C=CCC1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is OXZRVGSDCLNURI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14(12-13-4-1-2-5-13)18-10-6-16(7-11-18,15(21)22)19-9-3-8-17-19/h1,3-4,8-9,13H,2,5-7,10-12H2,(H,21,22)/t13-/m1/s1.
What are the key properties of 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 95882974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).