[2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone

C20H24F2N4O2 — CID 145069873

IUPAC[2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(O)c1cnn(C2CCCN(C(=O)c3ccccc3C3CC3(F)F)C2)n1
InChIInChI=1S/C20H24F2N4O2/c1-19(2,28)17-11-23-26(24-17)13-6-5-9-25(12-13)18(27)15-8-4-3-7-14(15)16-10-20(16,21)22/h3-4,7-8,11,13,16,28H,5-6,9-10,12H2,1-2H3
InChIKeyHQMAGSPWDSLXBZ-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.11
Rot. Bonds4

About [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone

[2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone (PubChem CID 145069873) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone
PubChem CID145069873
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name[2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(O)c1cnn(C2CCCN(C(=O)c3ccccc3C3CC3(F)F)C2)n1
InChIInChI=1S/C20H24F2N4O2/c1-19(2,28)17-11-23-26(24-17)13-6-5-9-25(12-13)18(27)15-8-4-3-7-14(15)16-10-20(16,21)22/h3-4,7-8,11,13,16,28H,5-6,9-10,12H2,1-2H3
InChIKeyHQMAGSPWDSLXBZ-UHFFFAOYSA-N
XLogP3.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)(2-(2,2,2-trifluoroethyl)phenyl)methanone
CID 121313968
2-{2-[(3R,6R)-6-Methyl-1-({2-[(trifluoromethyl)sulfanyl]pheny} carbonyl)piperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121313970
2-{2-[(3R,6R)-1-{[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314114
2-{2-[(3R,6R)-1-({2-[(1R)-2,2-difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314118
2-{2-[(3R,6R)-1-{[4-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314126
2-{2-[(3R,6R)-1-({2-[(1S)-2,2-difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314129
2-{2-[(3R,6R)-1-{[3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314166
2-{1-[(3R,6R)-1-({2-[(1S)-2,2-Difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314179
2-{1-[(3R,6R)-1-({2-[(1R)-2,2-Difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314183
(2-(2H-1,2,3-triazol-2-yl)phenyl) ((2R,5R)-2-methyl-5-(4-((S)-2,2,2-trifluoro-1-hydroxyethyl)-2H-1,2,3-triazol-2-yl)piperidin-1-yl)methanone
CID 121314207
(2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-2-methyl-5-(4-((R)-2,2,2-trifluoro-1-hydroxyethyl)-2H-1,2,3-triazol-2-yl)piperidin-1-yl)methanone
CID 121314211
US10155750, Example 38
CID 121440220

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone (CID 145069873) is [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone is CC(C)(O)c1cnn(C2CCCN(C(=O)c3ccccc3C3CC3(F)F)C2)n1.
What is the InChIKey of [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is HQMAGSPWDSLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-19(2,28)17-11-23-26(24-17)13-6-5-9-25(12-13)18(27)15-8-4-3-7-14(15)16-10-20(16,21)22/h3-4,7-8,11,13,16,28H,5-6,9-10,12H2,1-2H3.
What are the key properties of [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone?
[2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 390.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluorocyclopropyl)phenyl]-[3-[4-(2-hydroxypropan-2-yl)triazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 145069873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).