(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide

C16H24N2O4 — CID 120629024

IUPAC(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-10-9-11(7-8-17-10)16(19)18-12-5-6-13(20-2)15(22-4)14(12)21-3/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyYYSBHDIYONOUKE-QWRGUYRKSA-N
MW308.38 g/mol
LogP2.04
Rot. Bonds5

About (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 120629024) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
PubChem CID120629024
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-10-9-11(7-8-17-10)16(19)18-12-5-6-13(20-2)15(22-4)14(12)21-3/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyYYSBHDIYONOUKE-QWRGUYRKSA-N
XLogP2.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120625991
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120621294
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide (CID 120629024) is (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c(OC)c1OC.
What is the InChIKey of (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is YYSBHDIYONOUKE-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10-9-11(7-8-17-10)16(19)18-12-5-6-13(20-2)15(22-4)14(12)21-3/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120629024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).