(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone

C25H38N2O — CID 29056402

IUPAC(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone
SMILESC[C@H]1CCC[C@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1
InChIInChI=1S/C25H38N2O/c1-20-7-5-11-24(17-20)27-14-6-10-23(19-27)25(28)26-15-12-22(13-16-26)18-21-8-3-2-4-9-21/h2-4,8-9,20,22-24H,5-7,10-19H2,1H3/t20-,23+,24-/m0/s1
InChIKeyUWADVROSAKPYEC-ZTCOLXNVSA-N
MW382.59 g/mol
LogP4.76
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone (PubChem CID 29056402) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone
PubChem CID29056402
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone
SMILESC[C@H]1CCC[C@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1
InChIInChI=1S/C25H38N2O/c1-20-7-5-11-24(17-20)27-14-6-10-23(19-27)25(28)26-15-12-22(13-16-26)18-21-8-3-2-4-9-21/h2-4,8-9,20,22-24H,5-7,10-19H2,1H3/t20-,23+,24-/m0/s1
InChIKeyUWADVROSAKPYEC-ZTCOLXNVSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-[(3R)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-3-yl]methanone
CID 29056396
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
3-benzyl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943337
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone (CID 29056402) is (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone is C[C@H]1CCC[C@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone?
The InChIKey is UWADVROSAKPYEC-ZTCOLXNVSA-N. The full InChI is InChI=1S/C25H38N2O/c1-20-7-5-11-24(17-20)27-14-6-10-23(19-27)25(28)26-15-12-22(13-16-26)18-21-8-3-2-4-9-21/h2-4,8-9,20,22-24H,5-7,10-19H2,1H3/t20-,23+,24-/m0/s1.
What are the key properties of (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone has a molecular weight of 382.59 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone is sourced from PubChem (CID 29056402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).