1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone

C25H38N2O — CID 163638608

IUPAC1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone
SMILESCc1ccc(C2CCN(C(=O)C[C@H]3CCCCC3N3CCCCC3)CC2)cc1
InChIInChI=1S/C25H38N2O/c1-20-9-11-21(12-10-20)22-13-17-27(18-14-22)25(28)19-23-7-3-4-8-24(23)26-15-5-2-6-16-26/h9-12,22-24H,2-8,13-19H2,1H3/t23-,24?/m1/s1
InChIKeyQKUOYWLOEZWRFS-MIHMCVIASA-N
MW382.59 g/mol
LogP5.14
Rot. Bonds4

About 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone

1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone (PubChem CID 163638608) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone
PubChem CID163638608
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone
SMILESCc1ccc(C2CCN(C(=O)C[C@H]3CCCCC3N3CCCCC3)CC2)cc1
InChIInChI=1S/C25H38N2O/c1-20-9-11-21(12-10-20)22-13-17-27(18-14-22)25(28)19-23-7-3-4-8-24(23)26-15-5-2-6-16-26/h9-12,22-24H,2-8,13-19H2,1H3/t23-,24?/m1/s1
InChIKeyQKUOYWLOEZWRFS-MIHMCVIASA-N
XLogP5.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone with MolForge

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Related Compounds

trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
CID 132850025
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 122500260
2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 58062913
2-cyclohexyl-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134744
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-phenothiazin-10-ylethanone
CID 54587102
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(4S)-4-phenylazepan-1-yl]ethanone
CID 95174940
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclobutyl-4-(4-methylphenyl)piperidine
CID 118136109

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone (CID 163638608) is 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone is Cc1ccc(C2CCN(C(=O)C[C@H]3CCCCC3N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone?
The InChIKey is QKUOYWLOEZWRFS-MIHMCVIASA-N. The full InChI is InChI=1S/C25H38N2O/c1-20-9-11-21(12-10-20)22-13-17-27(18-14-22)25(28)19-23-7-3-4-8-24(23)26-15-5-2-6-16-26/h9-12,22-24H,2-8,13-19H2,1H3/t23-,24?/m1/s1.
What are the key properties of 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone?
1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone has a molecular weight of 382.59 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)piperidin-1-yl]-2-[(1R)-2-piperidin-1-ylcyclohexyl]ethanone is sourced from PubChem (CID 163638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).