3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide

C18H26N2O2 — CID 108966622

IUPAC3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
SMILESCCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-15-12-8-9-13-20(15)17(22)18(2,3)16(21)19-14-10-6-5-7-11-14/h5-7,10-11,15H,4,8-9,12-13H2,1-3H3,(H,19,21)
InChIKeyWGNVHVZJBGFFJK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.44
Rot. Bonds4

About 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide

3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide (PubChem CID 108966622) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
PubChem CID108966622
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
SMILESCCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-15-12-8-9-13-20(15)17(22)18(2,3)16(21)19-14-10-6-5-7-11-14/h5-7,10-11,15H,4,8-9,12-13H2,1-3H3,(H,19,21)
InChIKeyWGNVHVZJBGFFJK-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108966674
3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
CID 108966667
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
2-bromo-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 114329119
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
4-[3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961070
1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 43996948
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide (CID 108966622) is 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide is CCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1ccccc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide?
The InChIKey is WGNVHVZJBGFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-15-12-8-9-13-20(15)17(22)18(2,3)16(21)19-14-10-6-5-7-11-14/h5-7,10-11,15H,4,8-9,12-13H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide?
3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 108966622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).