(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C17H23ClN2O2 — CID 94857593

IUPAC(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)16(22)20-9-5-6-12(11-20)15(21)19-14-8-4-7-13(18)10-14/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyWUNINSUEHSCJRX-LBPRGKRZSA-N
MW322.84 g/mol
LogP3.56
Rot. Bonds2

About (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 94857593) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID94857593
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)16(22)20-9-5-6-12(11-20)15(21)19-14-8-4-7-13(18)10-14/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyWUNINSUEHSCJRX-LBPRGKRZSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
N-(3,5-difluoro-4-iodophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 60610834
(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 95143009
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 94857593) is (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is WUNINSUEHSCJRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2,3)16(22)20-9-5-6-12(11-20)15(21)19-14-8-4-7-13(18)10-14/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94857593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).