5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one

C13H17FN2O2 — CID 102876412

IUPAC5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)NC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-18-11-4-2-9(12(14)6-11)7-15-10-3-5-13(17)16-8-10/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyVCWQSCDTNWCTHN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.20
Rot. Bonds4

About 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one

5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one (PubChem CID 102876412) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
PubChem CID102876412
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)NC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-18-11-4-2-9(12(14)6-11)7-15-10-3-5-13(17)16-8-10/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyVCWQSCDTNWCTHN-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
CID 63378589
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
4-fluoro-3-[[(6-oxopiperidin-3-yl)amino]methyl]benzonitrile
CID 55244902
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
3-fluoro-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]benzonitrile
CID 114155898
5-[(2-fluoro-3-nitrophenyl)methylamino]piperidin-2-one
CID 107349177
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one (CID 102876412) is 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one is COc1ccc(CNC2CCC(=O)NC2)c(F)c1.
What is the InChIKey of 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is VCWQSCDTNWCTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-11-4-2-9(12(14)6-11)7-15-10-3-5-13(17)16-8-10/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one?
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 102876412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).