1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C25H26FN3O2 — CID 45202915

IUPAC1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C25H26FN3O2/c1-18-11-13-27-29(18)15-12-24(30)28-14-5-8-21(17-28)25(31)20-9-10-22(23(26)16-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13,16,21H,5,8,12,14-15,17H2,1H3
InChIKeyKQPBGBSVCRVDOZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.51
Rot. Bonds6

About 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 45202915) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID45202915
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C25H26FN3O2/c1-18-11-13-27-29(18)15-12-24(30)28-14-5-8-21(17-28)25(31)20-9-10-22(23(26)16-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13,16,21H,5,8,12,14-15,17H2,1H3
InChIKeyKQPBGBSVCRVDOZ-UHFFFAOYSA-N
XLogP4.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 45202915) is 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is KQPBGBSVCRVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-18-11-13-27-29(18)15-12-24(30)28-14-5-8-21(17-28)25(31)20-9-10-22(23(26)16-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13,16,21H,5,8,12,14-15,17H2,1H3.
What are the key properties of 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 419.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 45202915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).