2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one

C16H22N2O2 — CID 115571713

IUPAC2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCC(=O)c1ccc(NC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(16(20)18-10-4-3-5-11-18)17-15-8-6-14(7-9-15)13(2)19/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyVYBUIPALLUECBG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one

2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 115571713) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID115571713
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCC(=O)c1ccc(NC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(16(20)18-10-4-3-5-11-18)17-15-8-6-14(7-9-15)13(2)19/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyVYBUIPALLUECBG-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
5-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-fluorobenzonitrile
CID 62316286
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-chlorobenzonitrile
CID 43348090
N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55540658
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one (CID 115571713) is 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one is CC(=O)c1ccc(NC(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is VYBUIPALLUECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(16(20)18-10-4-3-5-11-18)17-15-8-6-14(7-9-15)13(2)19/h6-9,12,17H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one?
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115571713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).