(4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone

C27H24F2N2O2 — CID 18763176

IUPAC(4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESCc1nc(/C=C/c2cccc(F)c2)ccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H24F2N2O2/c1-18-25(12-11-24(30-18)10-5-19-3-2-4-23(29)17-19)27(33)31-15-13-21(14-16-31)26(32)20-6-8-22(28)9-7-20/h2-12,17,21H,13-16H2,1H3/b10-5+
InChIKeyDNNGRDHVSYGNCR-BJMVGYQFSA-N
MW446.50 g/mol
LogP5.57
Rot. Bonds5

About (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone (PubChem CID 18763176) has the molecular formula C27H24F2N2O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone
PubChem CID18763176
Molecular FormulaC27H24F2N2O2
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESCc1nc(/C=C/c2cccc(F)c2)ccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H24F2N2O2/c1-18-25(12-11-24(30-18)10-5-19-3-2-4-23(29)17-19)27(33)31-15-13-21(14-16-31)26(32)20-6-8-22(28)9-7-20/h2-12,17,21H,13-16H2,1H3/b10-5+
InChIKeyDNNGRDHVSYGNCR-BJMVGYQFSA-N
XLogP5.57
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone (CID 18763176) is (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone is Cc1nc(/C=C/c2cccc(F)c2)ccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone?
The InChIKey is DNNGRDHVSYGNCR-BJMVGYQFSA-N. The full InChI is InChI=1S/C27H24F2N2O2/c1-18-25(12-11-24(30-18)10-5-19-3-2-4-23(29)17-19)27(33)31-15-13-21(14-16-31)26(32)20-6-8-22(28)9-7-20/h2-12,17,21H,13-16H2,1H3/b10-5+.
What are the key properties of (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone has a molecular weight of 446.50 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methylpyridine-3-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 18763176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).