3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

C31H30F3N3O2 — CID 142917293

IUPAC3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C31H30F3N3O2/c1-21-35-31(24-5-11-27(33)12-6-24,25-7-13-28(34)14-8-25)30(39)37(21)18-2-17-36-19-15-23(16-20-36)29(38)22-3-9-26(32)10-4-22/h3-14,23H,2,15-20H2,1H3
InChIKeyWPWKZEFTLXPJRM-UHFFFAOYSA-N
MW533.59 g/mol
LogP5.59
Rot. Bonds8

About 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 142917293) has the molecular formula C31H30F3N3O2 and a molecular weight of 533.59 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID142917293
Molecular FormulaC31H30F3N3O2
Molecular Weight533.59 g/mol
Exact Mass533.23
IUPAC Name3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C31H30F3N3O2/c1-21-35-31(24-5-11-27(33)12-6-24,25-7-13-28(34)14-8-25)30(39)37(21)18-2-17-36-19-15-23(16-20-36)29(38)22-3-9-26(32)10-4-22/h3-14,23H,2,15-20H2,1H3
InChIKeyWPWKZEFTLXPJRM-UHFFFAOYSA-N
XLogP5.59
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (CID 142917293) is 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is WPWKZEFTLXPJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N3O2/c1-21-35-31(24-5-11-27(33)12-6-24,25-7-13-28(34)14-8-25)30(39)37(21)18-2-17-36-19-15-23(16-20-36)29(38)22-3-9-26(32)10-4-22/h3-14,23H,2,15-20H2,1H3.
What are the key properties of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 533.59 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 142917293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).