4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one

C18H20F2N2O — CID 138380074

IUPAC4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c(F)c1F
InChIInChI=1S/C18H20F2N2O/c1-12-2-3-15(18(20)17(12)19)11-22-8-5-13(6-9-22)14-4-7-21-16(23)10-14/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,21,23)
InChIKeyCRRDCODSWGZRLY-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.34
Rot. Bonds3

About 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138380074) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138380074
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c(F)c1F
InChIInChI=1S/C18H20F2N2O/c1-12-2-3-15(18(20)17(12)19)11-22-8-5-13(6-9-22)14-4-7-21-16(23)10-14/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,21,23)
InChIKeyCRRDCODSWGZRLY-UHFFFAOYSA-N
XLogP3.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138380074) is 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is Cc1ccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c(F)c1F.
What is the InChIKey of 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is CRRDCODSWGZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-12-2-3-15(18(20)17(12)19)11-22-8-5-13(6-9-22)14-4-7-21-16(23)10-14/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,21,23).
What are the key properties of 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 318.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138380074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).