(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide

C14H18ClFN2O — CID 29056416

IUPAC(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O/c1-9-4-3-5-10(2)18(9)14(19)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H,17,19)/t9-,10-/m0/s1
InChIKeyHNXPZZRYXPKYOJ-UWVGGRQHSA-N
MW284.76 g/mol
LogP4.27
Rot. Bonds1

About (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide

(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 29056416) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
PubChem CID29056416
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O/c1-9-4-3-5-10(2)18(9)14(19)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H,17,19)/t9-,10-/m0/s1
InChIKeyHNXPZZRYXPKYOJ-UWVGGRQHSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
5-bromo-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074006
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
CID 17249915
(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
CID 129382087
1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
CID 27235394

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide (CID 29056416) is (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide is C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is HNXPZZRYXPKYOJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9-4-3-5-10(2)18(9)14(19)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H,17,19)/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide?
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 29056416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).