N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C16H23ClN2O — CID 8583041

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-8-12(2)16(14(17)9-11)18-15(20)10-19-7-5-4-6-13(19)3/h8-9,13H,4-7,10H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyBTOFBUCFVJXXGA-ZDUSSCGKSA-N
MW294.83 g/mol
LogP3.77
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 8583041) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID8583041
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-8-12(2)16(14(17)9-11)18-15(20)10-19-7-5-4-6-13(19)3/h8-9,13H,4-7,10H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyBTOFBUCFVJXXGA-ZDUSSCGKSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801135
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 8583041) is N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is Cc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is BTOFBUCFVJXXGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-8-12(2)16(14(17)9-11)18-15(20)10-19-7-5-4-6-13(19)3/h8-9,13H,4-7,10H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8583041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).