1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid

C16H21N3O3 — CID 129469400

IUPAC1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1
InChIInChI=1S/C16H21N3O3/c20-15(9-12-3-1-2-4-12)18-7-5-14(6-8-18)19-11-13(10-17-19)16(21)22/h1,3,10-12,14H,2,4-9H2,(H,21,22)/t12-/m1/s1
InChIKeyHXTYAQHBIMTEBA-GFCCVEGCSA-N
MW303.36 g/mol
LogP2.10
Rot. Bonds4

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

1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 129469400) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID129469400
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1
InChIInChI=1S/C16H21N3O3/c20-15(9-12-3-1-2-4-12)18-7-5-14(6-8-18)19-11-13(10-17-19)16(21)22/h1,3,10-12,14H,2,4-9H2,(H,21,22)/t12-/m1/s1
InChIKeyHXTYAQHBIMTEBA-GFCCVEGCSA-N
XLogP2.10
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 ≤ 52.10
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

1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469236
1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 138038164
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 131945624
4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535625
1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95882974
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9368511

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid (CID 129469400) is 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1.
What is the InChIKey of 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is HXTYAQHBIMTEBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(9-12-3-1-2-4-12)18-7-5-14(6-8-18)19-11-13(10-17-19)16(21)22/h1,3,10-12,14H,2,4-9H2,(H,21,22)/t12-/m1/s1.
What are the key properties of 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 129469400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).