2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone

C18H21F2N3O2 — CID 75389719

IUPAC2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C(F)(F)C(=O)N2CCC(c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C18H21F2N3O2/c1-22-12-14(11-21-22)13-7-9-23(10-8-13)17(24)18(19,20)15-3-5-16(25-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3
InChIKeyYGSUAYDVSBVUSC-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.93
Rot. Bonds4

About 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone

2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 75389719) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID75389719
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C(F)(F)C(=O)N2CCC(c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C18H21F2N3O2/c1-22-12-14(11-21-22)13-7-9-23(10-8-13)17(24)18(19,20)15-3-5-16(25-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3
InChIKeyYGSUAYDVSBVUSC-UHFFFAOYSA-N
XLogP2.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone (CID 75389719) is 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone is COc1ccc(C(F)(F)C(=O)N2CCC(c3cnn(C)c3)CC2)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is YGSUAYDVSBVUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-22-12-14(11-21-22)13-7-9-23(10-8-13)17(24)18(19,20)15-3-5-16(25-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone?
2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 349.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 75389719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).