(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide

C15H19ClN2O2 — CID 9068498

IUPAC(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-10-5-6-13(8-14(10)16)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyPTBMZPRAOILBOI-LBPRGKRZSA-N
MW294.78 g/mol
LogP2.85
Rot. Bonds2

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

(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide (PubChem CID 9068498) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
PubChem CID9068498
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-10-5-6-13(8-14(10)16)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyPTBMZPRAOILBOI-LBPRGKRZSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide (CID 9068498) is (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is PTBMZPRAOILBOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-5-6-13(8-14(10)16)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide?
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 9068498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).