(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C15H22N2O2 — CID 81128624

IUPAC(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-17(15(18)12-7-5-9-16-10-12)11-13-6-3-4-8-14(13)19-2/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyLPMDLWFOYLFYDD-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.65
Rot. Bonds4

About (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81128624) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID81128624
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-17(15(18)12-7-5-9-16-10-12)11-13-6-3-4-8-14(13)19-2/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyLPMDLWFOYLFYDD-LBPRGKRZSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119268854
N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 55178802
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-3-carboxamide
CID 119309205
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 81128624) is (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccccc1CN(C)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LPMDLWFOYLFYDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(15(18)12-7-5-9-16-10-12)11-13-6-3-4-8-14(13)19-2/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81128624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).