1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C19H22F2N4O — CID 169094687

IUPAC1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2c(F)cc(-c3cn[nH]c3)cc2F)CC1
InChIInChI=1S/C19H22F2N4O/c20-16-8-14(15-10-22-23-11-15)9-17(21)19(16)24-6-3-13(4-7-24)12-25-5-1-2-18(25)26/h8-11,13H,1-7,12H2,(H,22,23)
InChIKeyVCDGMSBBQXSCCN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.19
Rot. Bonds4

About 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 169094687) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID169094687
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2c(F)cc(-c3cn[nH]c3)cc2F)CC1
InChIInChI=1S/C19H22F2N4O/c20-16-8-14(15-10-22-23-11-15)9-17(21)19(16)24-6-3-13(4-7-24)12-25-5-1-2-18(25)26/h8-11,13H,1-7,12H2,(H,22,23)
InChIKeyVCDGMSBBQXSCCN-UHFFFAOYSA-N
XLogP3.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-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-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 169094687) is 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2c(F)cc(-c3cn[nH]c3)cc2F)CC1.
What is the InChIKey of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is VCDGMSBBQXSCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-16-8-14(15-10-22-23-11-15)9-17(21)19(16)24-6-3-13(4-7-24)12-25-5-1-2-18(25)26/h8-11,13H,1-7,12H2,(H,22,23).
What are the key properties of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 360.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169094687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).