1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C19H22F2N4O — CID 176618552

IUPAC1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2c(F)cc(-c3ccn[nH]3)cc2F)CC1
InChIInChI=1S/C19H22F2N4O/c20-15-10-14(17-3-6-22-23-17)11-16(21)19(15)24-8-4-13(5-9-24)12-25-7-1-2-18(25)26/h3,6,10-11,13H,1-2,4-5,7-9,12H2,(H,22,23)
InChIKeyVOCMXGCXQLJMMO-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.19
Rot. Bonds4

About 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 176618552) 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-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID176618552
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2c(F)cc(-c3ccn[nH]3)cc2F)CC1
InChIInChI=1S/C19H22F2N4O/c20-15-10-14(17-3-6-22-23-17)11-16(21)19(15)24-8-4-13(5-9-24)12-25-7-1-2-18(25)26/h3,6,10-11,13H,1-2,4-5,7-9,12H2,(H,22,23)
InChIKeyVOCMXGCXQLJMMO-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-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[1-[2-(hydroxymethyl)-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 169094886
2-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]-5-(1H-pyrazol-4-yl)benzoic acid
CID 169094887
1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554102
1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554108
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 99799044
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70764539
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
1-[[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70737453
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124
1-[[1-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]piperidin-2-one
CID 133427836

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 176618552) is 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2c(F)cc(-c3ccn[nH]3)cc2F)CC1.
What is the InChIKey of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is VOCMXGCXQLJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-15-10-14(17-3-6-22-23-17)11-16(21)19(15)24-8-4-13(5-9-24)12-25-7-1-2-18(25)26/h3,6,10-11,13H,1-2,4-5,7-9,12H2,(H,22,23).
What are the key properties of 1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[2,6-difluoro-4-(1H-pyrazol-5-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-5-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 176618552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).