[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

C23H23F2N3O — CID 56876167

IUPAC[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C23H23F2N3O/c24-20-4-1-5-21(25)19(20)11-6-16-3-2-14-28(15-16)23(29)18-9-7-17(8-10-18)22-12-13-26-27-22/h1,4-5,7-10,12-13,16H,2-3,6,11,14-15H2,(H,26,27)
InChIKeyQPLHHSAZWBUELT-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.84
Rot. Bonds5

About [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 56876167) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID56876167
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C23H23F2N3O/c24-20-4-1-5-21(25)19(20)11-6-16-3-2-14-28(15-16)23(29)18-9-7-17(8-10-18)22-12-13-26-27-22/h1,4-5,7-10,12-13,16H,2-3,6,11,14-15H2,(H,26,27)
InChIKeyQPLHHSAZWBUELT-UHFFFAOYSA-N
XLogP4.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 56876167) is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is QPLHHSAZWBUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O/c24-20-4-1-5-21(25)19(20)11-6-16-3-2-14-28(15-16)23(29)18-9-7-17(8-10-18)22-12-13-26-27-22/h1,4-5,7-10,12-13,16H,2-3,6,11,14-15H2,(H,26,27).
What are the key properties of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 395.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 56876167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).