(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide

C16H23N3O3 — CID 120617184

IUPAC(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H23N3O3/c1-10-8-12(6-7-17-10)16(21)19-14-9-13(18-11(2)20)4-5-15(14)22-3/h4-5,9-10,12,17H,6-8H2,1-3H3,(H,18,20)(H,19,21)/t10-,12-/m0/s1
InChIKeyALYPKGFPHBQBPR-JQWIXIFHSA-N
MW305.38 g/mol
LogP1.98
Rot. Bonds4

About (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120617184) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120617184
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H23N3O3/c1-10-8-12(6-7-17-10)16(21)19-14-9-13(18-11(2)20)4-5-15(14)22-3/h4-5,9-10,12,17H,6-8H2,1-3H3,(H,18,20)(H,19,21)/t10-,12-/m0/s1
InChIKeyALYPKGFPHBQBPR-JQWIXIFHSA-N
XLogP1.98
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide (CID 120617184) is (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is ALYPKGFPHBQBPR-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-8-12(6-7-17-10)16(21)19-14-9-13(18-11(2)20)4-5-15(14)22-3/h4-5,9-10,12,17H,6-8H2,1-3H3,(H,18,20)(H,19,21)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120617184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).