1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one

C18H21F2N3O3 — CID 45247476

IUPAC1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one
SMILESCN(Cc1ccon1)CC1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C18H21F2N3O3/c1-22(11-14-5-8-26-21-14)12-18(25)6-2-7-23(17(18)24)10-13-3-4-15(19)16(20)9-13/h3-5,8-9,25H,2,6-7,10-12H2,1H3
InChIKeyZERUGEVYCXKIBH-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.94
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one

1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one (PubChem CID 45247476) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one
PubChem CID45247476
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one
SMILESCN(Cc1ccon1)CC1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C18H21F2N3O3/c1-22(11-14-5-8-26-21-14)12-18(25)6-2-7-23(17(18)24)10-13-3-4-15(19)16(20)9-13/h3-5,8-9,25H,2,6-7,10-12H2,1H3
InChIKeyZERUGEVYCXKIBH-UHFFFAOYSA-N
XLogP1.94
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one (CID 45247476) is 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one is CN(Cc1ccon1)CC1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one?
The InChIKey is ZERUGEVYCXKIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-22(11-14-5-8-26-21-14)12-18(25)6-2-7-23(17(18)24)10-13-3-4-15(19)16(20)9-13/h3-5,8-9,25H,2,6-7,10-12H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one has a molecular weight of 365.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45247476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).