6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one

C15H20ClNO — CID 138641914

IUPAC6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one
SMILESCCCN1C(=O)C(C)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-3-10-17-14(9-4-11(2)15(17)18)12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyIJMCLFKKHWDCNO-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.05
Rot. Bonds3

About 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one

6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one (PubChem CID 138641914) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one
PubChem CID138641914
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one
SMILESCCCN1C(=O)C(C)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-3-10-17-14(9-4-11(2)15(17)18)12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyIJMCLFKKHWDCNO-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one
CID 11784131
6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]piperidin-2-one
CID 154082265
6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
CID 138641611
2-(4-chlorophenyl)-1,3-dipropyl-2H-imidazole
CID 57196534
5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
CID 83242766
2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
CID 597249
2,6-dibutyl-1,5-bis(4-chlorophenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 4307358
(5R)-5-(4-chlorophenyl)-3-hydroxyimidazolidine-2,4-dione
CID 125493950
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
(1S,5R)-3-(4-chlorobenzoyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70737513
(3R)-6-(4-chlorophenyl)-1-[(2S)-1-ethylsulfanylbutan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 138641588
(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 138641954

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one (CID 138641914) is 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one is CCCN1C(=O)C(C)CCC1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one?
The InChIKey is IJMCLFKKHWDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-10-17-14(9-4-11(2)15(17)18)12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one?
6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one has a molecular weight of 265.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one is sourced from PubChem (CID 138641914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).