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

C30H33F2N3O2 — CID 141328383

IUPAC(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)C2=CN(C3CCN(Cc4ccc(F)cc4)CC3)CC=C2)CC1
InChIInChI=1S/C30H33F2N3O2/c31-26-7-3-22(4-8-26)20-33-16-13-28(14-17-33)35-15-1-2-25(21-35)30(37)34-18-11-24(12-19-34)29(36)23-5-9-27(32)10-6-23/h1-10,21,24,28H,11-20H2
InChIKeySQESONQVIGVNJZ-UHFFFAOYSA-N
MW505.61 g/mol
LogP4.81
Rot. Bonds6

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

(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone (PubChem CID 141328383) has the molecular formula C30H33F2N3O2 and a molecular weight of 505.61 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone
PubChem CID141328383
Molecular FormulaC30H33F2N3O2
Molecular Weight505.61 g/mol
Exact Mass505.25
IUPAC Name(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)C2=CN(C3CCN(Cc4ccc(F)cc4)CC3)CC=C2)CC1
InChIInChI=1S/C30H33F2N3O2/c31-26-7-3-22(4-8-26)20-33-16-13-28(14-17-33)35-15-1-2-25(21-35)30(37)34-18-11-24(12-19-34)29(36)23-5-9-27(32)10-6-23/h1-10,21,24,28H,11-20H2
InChIKeySQESONQVIGVNJZ-UHFFFAOYSA-N
XLogP4.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.61
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone (CID 141328383) is (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)C2=CN(C3CCN(Cc4ccc(F)cc4)CC3)CC=C2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone?
The InChIKey is SQESONQVIGVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N3O2/c31-26-7-3-22(4-8-26)20-33-16-13-28(14-17-33)35-15-1-2-25(21-35)30(37)34-18-11-24(12-19-34)29(36)23-5-9-27(32)10-6-23/h1-10,21,24,28H,11-20H2.
What are the key properties of (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone has a molecular weight of 505.61 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 141328383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).