(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide

C15H21N3O2 — CID 96596050

IUPAC(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1
InChIInChI=1S/C15H21N3O2/c1-11(19)16-13-6-3-7-14(9-13)17-15(20)12-5-4-8-18(2)10-12/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyYMSRKWAFXMPVTB-GFCCVEGCSA-N
MW275.35 g/mol
LogP1.93
Rot. Bonds3

About (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide

(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 96596050) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
PubChem CID96596050
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1
InChIInChI=1S/C15H21N3O2/c1-11(19)16-13-6-3-7-14(9-13)17-15(20)12-5-4-8-18(2)10-12/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyYMSRKWAFXMPVTB-GFCCVEGCSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide (CID 96596050) is (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1.
What is the InChIKey of (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is YMSRKWAFXMPVTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)16-13-6-3-7-14(9-13)17-15(20)12-5-4-8-18(2)10-12/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,16,19)(H,17,20)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide?
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 96596050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).