(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide

C14H19ClN2O — CID 41097747

IUPAC(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-6-5-7-11(2)17(10)14(18)16-13-9-4-3-8-12(13)15/h3-4,8-11H,5-7H2,1-2H3,(H,16,18)/t10-,11-/m0/s1
InChIKeySRANOLNGPMVGMI-QWRGUYRKSA-N
MW266.77 g/mol
LogP4.13
Rot. Bonds1

About (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide

(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 41097747) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
PubChem CID41097747
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-6-5-7-11(2)17(10)14(18)16-13-9-4-3-8-12(13)15/h3-4,8-11H,5-7H2,1-2H3,(H,16,18)/t10-,11-/m0/s1
InChIKeySRANOLNGPMVGMI-QWRGUYRKSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799798
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
[2-(2-chloroanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9036594
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
CID 7615898
(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403597
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
CID 129382087
(5S)-N-(2-chlorophenyl)-5-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 99799733
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]acetate
CID 7722061
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide (CID 41097747) is (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide is C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is SRANOLNGPMVGMI-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-6-5-7-11(2)17(10)14(18)16-13-9-4-3-8-12(13)15/h3-4,8-11H,5-7H2,1-2H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 41097747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).