(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide

C15H19N3O3 — CID 9207172

IUPAC(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H19N3O3/c1-10(19)18-8-2-3-12(9-18)15(21)17-13-6-4-11(5-7-13)14(16)20/h4-7,12H,2-3,8-9H2,1H3,(H2,16,20)(H,17,21)/t12-/m0/s1
InChIKeyWNWYVAIRCDBPGX-LBPRGKRZSA-N
MW289.33 g/mol
LogP0.98
Rot. Bonds3

About (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide

(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide (PubChem CID 9207172) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
PubChem CID9207172
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H19N3O3/c1-10(19)18-8-2-3-12(9-18)15(21)17-13-6-4-11(5-7-13)14(16)20/h4-7,12H,2-3,8-9H2,1H3,(H2,16,20)(H,17,21)/t12-/m0/s1
InChIKeyWNWYVAIRCDBPGX-LBPRGKRZSA-N
XLogP0.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175
1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 110686171
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344318
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide (CID 9207172) is (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide?
The InChIKey is WNWYVAIRCDBPGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(19)18-8-2-3-12(9-18)15(21)17-13-6-4-11(5-7-13)14(16)20/h4-7,12H,2-3,8-9H2,1H3,(H2,16,20)(H,17,21)/t12-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide?
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 9207172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).