(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide

C27H30N2O2 — CID 92996083

IUPAC(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C27H30N2O2/c1-20-7-6-10-22(15-20)23-16-24(19-29(18-23)17-21-8-4-3-5-9-21)27(30)28-25-11-13-26(31-2)14-12-25/h3-15,23-24H,16-19H2,1-2H3,(H,28,30)/t23-,24+/m1/s1
InChIKeySDAAIBGKOZJNGG-RPWUZVMVSA-N
MW414.55 g/mol
LogP5.25
Rot. Bonds6

About (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide

(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996083) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996083
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C27H30N2O2/c1-20-7-6-10-22(15-20)23-16-24(19-29(18-23)17-21-8-4-3-5-9-21)27(30)28-25-11-13-26(31-2)14-12-25/h3-15,23-24H,16-19H2,1-2H3,(H,28,30)/t23-,24+/m1/s1
InChIKeySDAAIBGKOZJNGG-RPWUZVMVSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866558
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425
1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
CID 156611571
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 46065202

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide (CID 92996083) is (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1.
What is the InChIKey of (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is SDAAIBGKOZJNGG-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20-7-6-10-22(15-20)23-16-24(19-29(18-23)17-21-8-4-3-5-9-21)27(30)28-25-11-13-26(31-2)14-12-25/h3-15,23-24H,16-19H2,1-2H3,(H,28,30)/t23-,24+/m1/s1.
What are the key properties of (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).