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

C15H22N2O — CID 43083406

IUPAC2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-6-8-14(9-7-12)16-13(2)15(18)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-11H2,1-2H3
InChIKeyGXQGNPKYIAXVRI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.81
Rot. Bonds3

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

2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083406) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083406
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-6-8-14(9-7-12)16-13(2)15(18)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-11H2,1-2H3
InChIKeyGXQGNPKYIAXVRI-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
CID 175083337
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
2-(4-methyl-3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 115571718

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one (CID 43083406) is 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one is Cc1ccc(NC(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is GXQGNPKYIAXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-6-8-14(9-7-12)16-13(2)15(18)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one?
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).