N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide

C17H23ClN2O3 — CID 95931919

IUPACN-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H23ClN2O3/c1-11-5-4-6-12(2)20(11)17(22)14-9-13(18)7-8-15(14)19-16(21)10-23-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,21)/t11-,12-/m0/s1
InChIKeyHGYAWFQTGQIZTO-RYUDHWBXSA-N
MW338.84 g/mol
LogP3.33
Rot. Bonds4

About N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide

N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide (PubChem CID 95931919) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
PubChem CID95931919
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H23ClN2O3/c1-11-5-4-6-12(2)20(11)17(22)14-9-13(18)7-8-15(14)19-16(21)10-23-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,21)/t11-,12-/m0/s1
InChIKeyHGYAWFQTGQIZTO-RYUDHWBXSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97023349
N-[4-chloro-2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 97023347
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 78889107
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112822319
3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 97023352
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
CID 112820697
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78862474
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide (CID 95931919) is N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide?
The InChIKey is HGYAWFQTGQIZTO-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11-5-4-6-12(2)20(11)17(22)14-9-13(18)7-8-15(14)19-16(21)10-23-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,21)/t11-,12-/m0/s1.
What are the key properties of N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide?
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide has a molecular weight of 338.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 95931919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).