N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide

C16H20N2O3 — CID 108942443

IUPACN-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H20N2O3/c1-12(19)13-6-5-7-14(10-13)17-15(20)11-16(21)18-8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,20)
InChIKeyNJQSKYHEVZMYKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.23
Rot. Bonds4

About N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide

N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108942443) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108942443
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H20N2O3/c1-12(19)13-6-5-7-14(10-13)17-15(20)11-16(21)18-8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,20)
InChIKeyNJQSKYHEVZMYKE-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.23
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-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
N-(3-acetylphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950596
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 52518463
N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942818

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide (CID 108942443) is N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide is CC(=O)c1cccc(NC(=O)CC(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is NJQSKYHEVZMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)13-6-5-7-14(10-13)17-15(20)11-16(21)18-8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide?
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 288.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108942443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).