[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone

C20H24FN3O2 — CID 176618480

IUPAC[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone
SMILESO=C([C@@H]1CC[C@H](O)C1)N1CCC(c2ccc(-c3cn[nH]c3)cc2F)CC1
InChIInChI=1S/C20H24FN3O2/c21-19-10-14(16-11-22-23-12-16)2-4-18(19)13-5-7-24(8-6-13)20(26)15-1-3-17(25)9-15/h2,4,10-13,15,17,25H,1,3,5-9H2,(H,22,23)/t15-,17+/m1/s1
InChIKeyKTRPZDMZUYGNBA-WBVHZDCISA-N
MW357.43 g/mol
LogP3.08
Rot. Bonds3

About [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone

[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone (PubChem CID 176618480) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone.

Molecular Properties

Compound Name[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone
PubChem CID176618480
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone
SMILESO=C([C@@H]1CC[C@H](O)C1)N1CCC(c2ccc(-c3cn[nH]c3)cc2F)CC1
InChIInChI=1S/C20H24FN3O2/c21-19-10-14(16-11-22-23-12-16)2-4-18(19)13-5-7-24(8-6-13)20(26)15-1-3-17(25)9-15/h2,4,10-13,15,17,25H,1,3,5-9H2,(H,22,23)/t15-,17+/m1/s1
InChIKeyKTRPZDMZUYGNBA-WBVHZDCISA-N
XLogP3.08
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone?
The IUPAC name of [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone (CID 176618480) is [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone.
What is the SMILES notation for [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone?
The canonical SMILES for [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone is O=C([C@@H]1CC[C@H](O)C1)N1CCC(c2ccc(-c3cn[nH]c3)cc2F)CC1.
What is the InChIKey of [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone?
The InChIKey is KTRPZDMZUYGNBA-WBVHZDCISA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-19-10-14(16-11-22-23-12-16)2-4-18(19)13-5-7-24(8-6-13)20(26)15-1-3-17(25)9-15/h2,4,10-13,15,17,25H,1,3,5-9H2,(H,22,23)/t15-,17+/m1/s1.
What are the key properties of [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone?
[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone is sourced from PubChem (CID 176618480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).