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

C19H23FN4O — CID 169094784

IUPAC1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2ccc(-c3cn[nH]c3)cc2F)CC1
InChIInChI=1S/C19H23FN4O/c20-17-10-15(16-11-21-22-12-16)3-4-18(17)23-8-5-14(6-9-23)13-24-7-1-2-19(24)25/h3-4,10-12,14H,1-2,5-9,13H2,(H,21,22)
InChIKeyUUTZYRFZFHDDOI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.05
Rot. Bonds4

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

1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 169094784) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID169094784
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2ccc(-c3cn[nH]c3)cc2F)CC1
InChIInChI=1S/C19H23FN4O/c20-17-10-15(16-11-21-22-12-16)3-4-18(17)23-8-5-14(6-9-23)13-24-7-1-2-19(24)25/h3-4,10-12,14H,1-2,5-9,13H2,(H,21,22)
InChIKeyUUTZYRFZFHDDOI-UHFFFAOYSA-N
XLogP3.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 169094784) is 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2ccc(-c3cn[nH]c3)cc2F)CC1.
What is the InChIKey of 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is UUTZYRFZFHDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-17-10-15(16-11-21-22-12-16)3-4-18(17)23-8-5-14(6-9-23)13-24-7-1-2-19(24)25/h3-4,10-12,14H,1-2,5-9,13H2,(H,21,22).
What are the key properties of 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 342.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169094784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).