(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide

C21H25ClN2O2 — CID 59438190

IUPAC(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(26-2)21(25)19-12-13-24(14-16-6-4-3-5-7-16)15-20(19)17-8-10-18(22)11-9-17/h3-11,19-20H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyDPFOBZADJKSCEQ-WOJBJXKFSA-N
MW372.90 g/mol
LogP3.97
Rot. Bonds5

About (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide

(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 59438190) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID59438190
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(26-2)21(25)19-12-13-24(14-16-6-4-3-5-7-16)15-20(19)17-8-10-18(22)11-9-17/h3-11,19-20H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyDPFOBZADJKSCEQ-WOJBJXKFSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
(1R)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol;(1S)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol
CID 162260997
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
[(3S,4S)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]methanediol
CID 59438124
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine
CID 91295133
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide (CID 59438190) is (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide is CON(C)C(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is DPFOBZADJKSCEQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-23(26-2)21(25)19-12-13-24(14-16-6-4-3-5-7-16)15-20(19)17-8-10-18(22)11-9-17/h3-11,19-20H,12-15H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide?
(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 59438190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).