2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

C16H23N3O — CID 95606393

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1
InChIInChI=1S/C16H23N3O/c1-13-17-8-10-19(13)15-7-4-9-18(12-15)16(20)11-14-5-2-3-6-14/h2,5,8,10,14-15H,3-4,6-7,9,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyZUFMWKNGFFQTFF-GJZGRUSLSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds3

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95606393) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95606393
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1
InChIInChI=1S/C16H23N3O/c1-13-17-8-10-19(13)15-7-4-9-18(12-15)16(20)11-14-5-2-3-6-14/h2,5,8,10,14-15H,3-4,6-7,9,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyZUFMWKNGFFQTFF-GJZGRUSLSA-N
XLogP2.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779676
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95349938
(3S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95336243
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95346856
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95338418
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (CID 95606393) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is Cc1nccn1[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is ZUFMWKNGFFQTFF-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-17-8-10-19(13)15-7-4-9-18(12-15)16(20)11-14-5-2-3-6-14/h2,5,8,10,14-15H,3-4,6-7,9,11-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95606393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).