1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

C20H26F2N4O2 — CID 45250380

IUPAC1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCc1nn(C)cc1CN(C)CC1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C20H26F2N4O2/c1-14-16(11-25(3)23-14)10-24(2)13-20(28)8-5-9-26(19(20)27)12-15-6-4-7-17(21)18(15)22/h4,6-7,11,28H,5,8-10,12-13H2,1-3H3
InChIKeyGFTRFXPPOIHVCN-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.99
Rot. Bonds6

About 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 45250380) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID45250380
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCc1nn(C)cc1CN(C)CC1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C20H26F2N4O2/c1-14-16(11-25(3)23-14)10-24(2)13-20(28)8-5-9-26(19(20)27)12-15-6-4-7-17(21)18(15)22/h4,6-7,11,28H,5,8-10,12-13H2,1-3H3
InChIKeyGFTRFXPPOIHVCN-UHFFFAOYSA-N
XLogP1.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-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-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (CID 45250380) is 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is Cc1nn(C)cc1CN(C)CC1(O)CCCN(Cc2cccc(F)c2F)C1=O.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is GFTRFXPPOIHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-14-16(11-25(3)23-14)10-24(2)13-20(28)8-5-9-26(19(20)27)12-15-6-4-7-17(21)18(15)22/h4,6-7,11,28H,5,8-10,12-13H2,1-3H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 392.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).