(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide

C14H19ClN2O — CID 40638803

IUPAC(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyIXOXWGHFGXROPX-GHMZBOCLSA-N
MW266.77 g/mol
LogP3.85
Rot. Bonds1

About (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide

(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 40638803) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID40638803
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyIXOXWGHFGXROPX-GHMZBOCLSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 51250491
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 3814610
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
N-(2,3-dichlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108500745
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide (CID 40638803) is (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide is C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is IXOXWGHFGXROPX-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 40638803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).