N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

C17H23N3O3 — CID 108942818

IUPACN-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)17(23)11-16(22)19-15-5-3-4-14(10-15)18-13(2)21/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyBWQNCVHKAULKPT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.23
Rot. Bonds4

About N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108942818) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108942818
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)17(23)11-16(22)19-15-5-3-4-14(10-15)18-13(2)21/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyBWQNCVHKAULKPT-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942837
N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942812
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942842
N-(3-acetamidophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948166
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (CID 108942818) is N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is CC(=O)Nc1cccc(NC(=O)CC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is BWQNCVHKAULKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)17(23)11-16(22)19-15-5-3-4-14(10-15)18-13(2)21/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 317.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108942818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).