3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

C17H24N2O2 — CID 109032867

IUPAC3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC(=O)c1cccc(NCCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-13-5-4-10-19(12-13)17(21)8-9-18-16-7-3-6-15(11-16)14(2)20/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3
InChIKeyMMZAMABCNOMNRZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.95
Rot. Bonds5

About 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 109032867) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID109032867
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC(=O)c1cccc(NCCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-13-5-4-10-19(12-13)17(21)8-9-18-16-7-3-6-15(11-16)14(2)20/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3
InChIKeyMMZAMABCNOMNRZ-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 109013882
1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109032918
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
N-[3-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113130996
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 109032867) is 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is CC(=O)c1cccc(NCCC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is MMZAMABCNOMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-5-4-10-19(12-13)17(21)8-9-18-16-7-3-6-15(11-16)14(2)20/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3.
What are the key properties of 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109032867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).