3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one

C16H22Cl2N2O — CID 119563571

IUPAC3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(9-12-3-4-13(17)10-15(12)18)16(21)20-7-5-14(19-2)6-8-20/h3-4,10-11,14,19H,5-9H2,1-2H3
InChIKeyRDGZFYGGASPNBP-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.38
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one

3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119563571) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119563571
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(9-12-3-4-13(17)10-15(12)18)16(21)20-7-5-14(19-2)6-8-20/h3-4,10-11,14,19H,5-9H2,1-2H3
InChIKeyRDGZFYGGASPNBP-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 119638946
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119561173
N-[(2S)-3-(2,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 89044978
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one
CID 143044279
3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 109378493
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473217
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43222996
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684
3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 142918406

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one (CID 119563571) is 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is RDGZFYGGASPNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(9-12-3-4-13(17)10-15(12)18)16(21)20-7-5-14(19-2)6-8-20/h3-4,10-11,14,19H,5-9H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 329.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).