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

C17H23ClN2O2 — CID 94857586

IUPAC(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)16(22)20-10-6-7-12(11-20)15(21)19-14-9-5-4-8-13(14)18/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyOPIKHTSHJMPIAB-GFCCVEGCSA-N
MW322.84 g/mol
LogP3.56
Rot. Bonds2

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

(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 94857586) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID94857586
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)16(22)20-10-6-7-12(11-20)15(21)19-14-9-5-4-8-13(14)18/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyOPIKHTSHJMPIAB-GFCCVEGCSA-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-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 52514306
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 94857586) is (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is OPIKHTSHJMPIAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2,3)16(22)20-10-6-7-12(11-20)15(21)19-14-9-5-4-8-13(14)18/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
(3R)-N-(2-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 (3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94857586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).