1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide

C15H19ClN2O2 — CID 103196319

IUPAC1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C(C)=O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-10(19)13-6-5-12(8-14(13)16)18-7-3-4-11(9-18)15(20)17-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyNLNNLMKLZBIEDR-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide

1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103196319) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103196319
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C(C)=O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-10(19)13-6-5-12(8-14(13)16)18-7-3-4-11(9-18)15(20)17-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyNLNNLMKLZBIEDR-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorophenyl]ethanone
CID 79938459
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 103196506
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
2-chloro-4-(3-methylpiperidin-1-yl)benzoic acid
CID 62945909
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide (CID 103196319) is 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(C(C)=O)c(Cl)c2)C1.
What is the InChIKey of 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is NLNNLMKLZBIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(19)13-6-5-12(8-14(13)16)18-7-3-4-11(9-18)15(20)17-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide?
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).