(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide

C15H21N3O3 — CID 81119809

IUPAC(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-12-5-6-14(21-2)13(8-12)18-15(20)11-4-3-7-16-9-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyQLFKHCQYKICEFP-NSHDSACASA-N
MW291.35 g/mol
LogP1.59
Rot. Bonds4

About (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide

(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 81119809) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
PubChem CID81119809
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-12-5-6-14(21-2)13(8-12)18-15(20)11-4-3-7-16-9-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyQLFKHCQYKICEFP-NSHDSACASA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
CID 81119695
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide (CID 81119809) is (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is QLFKHCQYKICEFP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)17-12-5-6-14(21-2)13(8-12)18-15(20)11-4-3-7-16-9-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide?
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81119809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).