1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone

C25H30N2O — CID 92617091

IUPAC1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
SMILESCc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1
InChIInChI=1S/C25H30N2O/c1-19-15-22(16-20-7-3-2-4-8-20)17-24(26-19)23-11-13-27(14-12-23)25(28)18-21-9-5-6-10-21/h2-5,7-9,15,17,21,23H,6,10-14,16,18H2,1H3/t21-/m0/s1
InChIKeyJCKCLFXDLUEBFF-NRFANRHFSA-N
MW374.53 g/mol
LogP5.04
Rot. Bonds5

About 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone

1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (PubChem CID 92617091) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
PubChem CID92617091
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
SMILESCc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1
InChIInChI=1S/C25H30N2O/c1-19-15-22(16-20-7-3-2-4-8-20)17-24(26-19)23-11-13-27(14-12-23)25(28)18-21-9-5-6-10-21/h2-5,7-9,15,17,21,23H,6,10-14,16,18H2,1H3/t21-/m0/s1
InChIKeyJCKCLFXDLUEBFF-NRFANRHFSA-N
XLogP5.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264179
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
CID 92624514
2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
CID 95834680
2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 132771058
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92616934
(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 95834027
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
1-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 25474366
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (CID 92617091) is 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1.
What is the InChIKey of 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The InChIKey is JCKCLFXDLUEBFF-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N2O/c1-19-15-22(16-20-7-3-2-4-8-20)17-24(26-19)23-11-13-27(14-12-23)25(28)18-21-9-5-6-10-21/h2-5,7-9,15,17,21,23H,6,10-14,16,18H2,1H3/t21-/m0/s1.
What are the key properties of 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone has a molecular weight of 374.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 92617091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).