2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide

C18H27N3O2 — CID 94795427

IUPAC2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCCC[C@H]1CC(N)=O
InChIInChI=1S/C18H27N3O2/c1-3-14-8-6-7-13(2)18(14)20-17(23)12-21-10-5-4-9-15(21)11-16(19)22/h6-8,15H,3-5,9-12H2,1-2H3,(H2,19,22)(H,20,23)/t15-/m0/s1
InChIKeyYFCVHVGEZYVPNH-HNNXBMFYSA-N
MW317.43 g/mol
LogP2.23
Rot. Bonds6

About 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide

2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide (PubChem CID 94795427) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide
PubChem CID94795427
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCCC[C@H]1CC(N)=O
InChIInChI=1S/C18H27N3O2/c1-3-14-8-6-7-13(2)18(14)20-17(23)12-21-10-5-4-9-15(21)11-16(19)22/h6-8,15H,3-5,9-12H2,1-2H3,(H2,19,22)(H,20,23)/t15-/m0/s1
InChIKeyYFCVHVGEZYVPNH-HNNXBMFYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 51172206

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide (CID 94795427) is 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide is CCc1cccc(C)c1NC(=O)CN1CCCC[C@H]1CC(N)=O.
What is the InChIKey of 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide?
The InChIKey is YFCVHVGEZYVPNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-14-8-6-7-13(2)18(14)20-17(23)12-21-10-5-4-9-15(21)11-16(19)22/h6-8,15H,3-5,9-12H2,1-2H3,(H2,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide?
2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 94795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).