3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one

C16H24N2O — CID 109013832

IUPAC3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C)c(NCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-6-7-14(2)15(12-13)17-9-8-16(19)18-10-4-3-5-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyDQUSBWYMUVLNFL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds4

About 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one

3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 109013832) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID109013832
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C)c(NCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-6-7-14(2)15(12-13)17-9-8-16(19)18-10-4-3-5-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyDQUSBWYMUVLNFL-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
1-(2,5-dimethylphenyl)-4-piperidin-1-ylbutane-1,4-dione
CID 94101970
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
3-(2-amino-4-fluoro-5-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 103590704
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
ethyl 4-[3-(5-chloro-2-methylanilino)propanoyl]piperazine-1-carboxylate
CID 109029055

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one (CID 109013832) is 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one is Cc1ccc(C)c(NCCC(=O)N2CCCCC2)c1.
What is the InChIKey of 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DQUSBWYMUVLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-7-14(2)15(12-13)17-9-8-16(19)18-10-4-3-5-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3.
What are the key properties of 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).