N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

C18H24N2O3 — CID 108958859

IUPACN-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H24N2O3/c1-13(21)14-8-7-9-15(12-14)19-16(22)18(2,3)17(23)20-10-5-4-6-11-20/h7-9,12H,4-6,10-11H2,1-3H3,(H,19,22)
InChIKeyAAVYVHAKZIMLRL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds4

About N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108958859) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108958859
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H24N2O3/c1-13(21)14-8-7-9-15(12-14)19-16(22)18(2,3)17(23)20-10-5-4-6-11-20/h7-9,12H,4-6,10-11H2,1-3H3,(H,19,22)
InChIKeyAAVYVHAKZIMLRL-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960966
N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108966674
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
3-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967044
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
methyl 4-[(2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanoyl)amino]benzoate
CID 108958865
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958898
3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (CID 108958859) is N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is CC(=O)c1cccc(NC(=O)C(C)(C)C(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is AAVYVHAKZIMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)14-8-7-9-15(12-14)19-16(22)18(2,3)17(23)20-10-5-4-6-11-20/h7-9,12H,4-6,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108958859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).