(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide

C15H21N3O3 — CID 103808843

IUPAC(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCCN2)ccc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-10(19)17-12-7-6-11(9-14(12)21-2)18-15(20)13-5-3-4-8-16-13/h6-7,9,13,16H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyXSLLVBUBTPEORZ-ZDUSSCGKSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds4

About (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide

(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 103808843) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
PubChem CID103808843
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CCCCN2)ccc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-10(19)17-12-7-6-11(9-14(12)21-2)18-15(20)13-5-3-4-8-16-13/h6-7,9,13,16H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyXSLLVBUBTPEORZ-ZDUSSCGKSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide (CID 103808843) is (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide is COc1cc(NC(=O)[C@@H]2CCCCN2)ccc1NC(C)=O.
What is the InChIKey of (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is XSLLVBUBTPEORZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)17-12-7-6-11(9-14(12)21-2)18-15(20)13-5-3-4-8-16-13/h6-7,9,13,16H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide?
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 103808843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).