(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone

C23H22F2N2O — CID 14198562

IUPAC(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C23H22F2N2O/c24-19-5-1-16(2-6-19)22-10-9-21(26-22)15-27-13-11-18(12-14-27)23(28)17-3-7-20(25)8-4-17/h1-10,18,26H,11-15H2
InChIKeyOYMIKHJIDQRXLJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.05
Rot. Bonds5

About (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone (PubChem CID 14198562) has the molecular formula C23H22F2N2O and a molecular weight of 380.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone
PubChem CID14198562
Molecular FormulaC23H22F2N2O
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C23H22F2N2O/c24-19-5-1-16(2-6-19)22-10-9-21(26-22)15-27-13-11-18(12-14-27)23(28)17-3-7-20(25)8-4-17/h1-10,18,26H,11-15H2
InChIKeyOYMIKHJIDQRXLJ-UHFFFAOYSA-N
XLogP5.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone (CID 14198562) is (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3ccc(F)cc3)[nH]2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is OYMIKHJIDQRXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O/c24-19-5-1-16(2-6-19)22-10-9-21(26-22)15-27-13-11-18(12-14-27)23(28)17-3-7-20(25)8-4-17/h1-10,18,26H,11-15H2.
What are the key properties of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 380.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 14198562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).