5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one

C14H18F2N2O3 — CID 63378779

IUPAC5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)NC2)cc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-20-11-4-2-9(6-12(11)21-14(15)16)7-17-10-3-5-13(19)18-8-10/h2,4,6,10,14,17H,3,5,7-8H2,1H3,(H,18,19)
InChIKeyYMXHMRCQISIRHI-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.66
Rot. Bonds6

About 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one

5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one (PubChem CID 63378779) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
PubChem CID63378779
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)NC2)cc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-20-11-4-2-9(6-12(11)21-14(15)16)7-17-10-3-5-13(19)18-8-10/h2,4,6,10,14,17H,3,5,7-8H2,1H3,(H,18,19)
InChIKeyYMXHMRCQISIRHI-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79351929
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611753
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one?
The IUPAC name of 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one (CID 63378779) is 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one.
What is the SMILES notation for 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one?
The canonical SMILES for 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one is COc1ccc(CNC2CCC(=O)NC2)cc1OC(F)F.
What is the InChIKey of 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one?
The InChIKey is YMXHMRCQISIRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-11-4-2-9(6-12(11)21-14(15)16)7-17-10-3-5-13(19)18-8-10/h2,4,6,10,14,17H,3,5,7-8H2,1H3,(H,18,19).
What are the key properties of 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one?
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one has a molecular weight of 300.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one is sourced from PubChem (CID 63378779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).