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

C17H18N2O — CID 129218927

IUPAC1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
SMILESCc1ccncc1-c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C17H18N2O/c1-13-9-10-18-12-16(13)14-5-7-15(8-6-14)19-11-3-2-4-17(19)20/h5-10,12H,2-4,11H2,1H3
InChIKeyCOVIYMYOSOEBHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds2

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

1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one (PubChem CID 129218927) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
PubChem CID129218927
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
SMILESCc1ccncc1-c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C17H18N2O/c1-13-9-10-18-12-16(13)14-5-7-15(8-6-14)19-11-3-2-4-17(19)20/h5-10,12H,2-4,11H2,1H3
InChIKeyCOVIYMYOSOEBHR-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[3,5-bis[4-(4-tert-butyl-3-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 172516998
1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517290
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
methyl 4-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzoate
CID 18694267
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one?
The IUPAC name of 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one (CID 129218927) is 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one is Cc1ccncc1-c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one?
The InChIKey is COVIYMYOSOEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-9-10-18-12-16(13)14-5-7-15(8-6-14)19-11-3-2-4-17(19)20/h5-10,12H,2-4,11H2,1H3.
What are the key properties of 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one?
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one is sourced from PubChem (CID 129218927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).