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

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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).