1-[4-(3-methylphenyl)phenyl]piperidin-2-one

C18H19NO — CID 156557854

IUPAC1-[4-(3-methylphenyl)phenyl]piperidin-2-one
SMILESCc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C18H19NO/c1-14-5-4-6-16(13-14)15-8-10-17(11-9-15)19-12-3-2-7-18(19)20/h4-6,8-11,13H,2-3,7,12H2,1H3
InChIKeyMIZMGJVZUXMFGB-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.18
Rot. Bonds2

About 1-[4-(3-methylphenyl)phenyl]piperidin-2-one

1-[4-(3-methylphenyl)phenyl]piperidin-2-one (PubChem CID 156557854) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)phenyl]piperidin-2-one
PubChem CID156557854
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[4-(3-methylphenyl)phenyl]piperidin-2-one
SMILESCc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C18H19NO/c1-14-5-4-6-16(13-14)15-8-10-17(11-9-15)19-12-3-2-7-18(19)20/h4-6,8-11,13H,2-3,7,12H2,1H3
InChIKeyMIZMGJVZUXMFGB-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
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1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
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1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-methyl-3-(trifluoromethylsulfanyl)benzene;1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 143688899
1-[4-(2,3-dihydro-1H-indol-6-yl)phenyl]piperidin-2-one
CID 174474296
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-(4-aminophenyl)piperidin-2-one
CID 11458178
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 134047665
1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
CID 100660181
1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one
CID 134040966
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)phenyl]piperidin-2-one?
The IUPAC name of 1-[4-(3-methylphenyl)phenyl]piperidin-2-one (CID 156557854) is 1-[4-(3-methylphenyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(3-methylphenyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-(3-methylphenyl)phenyl]piperidin-2-one is Cc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)phenyl]piperidin-2-one?
The InChIKey is MIZMGJVZUXMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-5-4-6-16(13-14)15-8-10-17(11-9-15)19-12-3-2-7-18(19)20/h4-6,8-11,13H,2-3,7,12H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)phenyl]piperidin-2-one?
1-[4-(3-methylphenyl)phenyl]piperidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)phenyl]piperidin-2-one is sourced from PubChem (CID 156557854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).