(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one

C25H36N2O2 — CID 42592436

IUPAC(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C25H36N2O2/c28-24-12-11-23(19-27(24)18-22-9-5-2-6-10-22)25(29)26-15-13-21(14-16-26)17-20-7-3-1-4-8-20/h1,3-4,7-8,21-23H,2,5-6,9-19H2/t23-/m1/s1
InChIKeyWGPHAOSQQFWHGO-HSZRJFAPSA-N
MW396.58 g/mol
LogP4.29
Rot. Bonds5

About (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one

(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one (PubChem CID 42592436) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
PubChem CID42592436
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C25H36N2O2/c28-24-12-11-23(19-27(24)18-22-9-5-2-6-10-22)25(29)26-15-13-21(14-16-26)17-20-7-3-1-4-8-20/h1,3-4,7-8,21-23H,2,5-6,9-19H2/t23-/m1/s1
InChIKeyWGPHAOSQQFWHGO-HSZRJFAPSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45195395
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 46109656
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one?
The IUPAC name of (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one (CID 42592436) is (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one.
What is the SMILES notation for (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one?
The canonical SMILES for (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one is O=C1CC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CN1CC1CCCCC1.
What is the InChIKey of (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one?
The InChIKey is WGPHAOSQQFWHGO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H36N2O2/c28-24-12-11-23(19-27(24)18-22-9-5-2-6-10-22)25(29)26-15-13-21(14-16-26)17-20-7-3-1-4-8-20/h1,3-4,7-8,21-23H,2,5-6,9-19H2/t23-/m1/s1.
What are the key properties of (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one?
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one has a molecular weight of 396.58 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one is sourced from PubChem (CID 42592436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).