1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone

C22H21F2N3O — CID 169094674

IUPAC1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2ccc(-c3cn[nH]c3)c(F)c2F)CC1
InChIInChI=1S/C22H21F2N3O/c23-21-18(6-7-19(22(21)24)17-13-25-26-14-17)16-8-10-27(11-9-16)20(28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26)
InChIKeyNXRFNDXYLJQNID-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone

1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 169094674) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone
PubChem CID169094674
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2ccc(-c3cn[nH]c3)c(F)c2F)CC1
InChIInChI=1S/C22H21F2N3O/c23-21-18(6-7-19(22(21)24)17-13-25-26-14-17)16-8-10-27(11-9-16)20(28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26)
InChIKeyNXRFNDXYLJQNID-UHFFFAOYSA-N
XLogP4.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 91884584
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95828832
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone (CID 169094674) is 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(c2ccc(-c3cn[nH]c3)c(F)c2F)CC1.
What is the InChIKey of 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is NXRFNDXYLJQNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c23-21-18(6-7-19(22(21)24)17-13-25-26-14-17)16-8-10-27(11-9-16)20(28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26).
What are the key properties of 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone?
1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 381.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 169094674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).