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

C16H24N2O — CID 109013836

IUPAC3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(NCCC(=O)N2CCCCC2)c1C
InChIInChI=1S/C16H24N2O/c1-13-7-6-8-15(14(13)2)17-10-9-16(19)18-11-4-3-5-12-18/h6-8,17H,3-5,9-12H2,1-2H3
InChIKeyDLLXNNMHUANMBL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds4

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

3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 109013836) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID109013836
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(NCCC(=O)N2CCCCC2)c1C
InChIInChI=1S/C16H24N2O/c1-13-7-6-8-15(14(13)2)17-10-9-16(19)18-11-4-3-5-12-18/h6-8,17H,3-5,9-12H2,1-2H3
InChIKeyDLLXNNMHUANMBL-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

1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-(2,3-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029829
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
ethyl 4-[3-(3-chloro-2-methylanilino)propanoyl]piperazine-1-carboxylate
CID 109029054
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109036061
1-(3-hydroxyazetidin-1-yl)-3-(2-methylanilino)propan-1-one
CID 154737556
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one (CID 109013836) is 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one is Cc1cccc(NCCC(=O)N2CCCCC2)c1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DLLXNNMHUANMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-7-6-8-15(14(13)2)17-10-9-16(19)18-11-4-3-5-12-18/h6-8,17H,3-5,9-12H2,1-2H3.
What are the key properties of 3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
3-(2,3-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-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).