6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one

C24H27FN2O3 — CID 3239018

IUPAC6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-20-11-9-19(10-12-20)27-22(28)14-13-21(24(29)26-15-3-2-4-16-26)23(27)17-5-7-18(25)8-6-17/h5-12,21,23H,2-4,13-16H2,1H3
InChIKeyQHTDMJVJHKYWSF-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.33
Rot. Bonds4

About 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one

6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one (PubChem CID 3239018) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
PubChem CID3239018
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-20-11-9-19(10-12-20)27-22(28)14-13-21(24(29)26-15-3-2-4-16-26)23(27)17-5-7-18(25)8-6-17/h5-12,21,23H,2-4,13-16H2,1H3
InChIKeyQHTDMJVJHKYWSF-UHFFFAOYSA-N
XLogP4.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one (CID 3239018) is 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one is COc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The InChIKey is QHTDMJVJHKYWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-30-20-11-9-19(10-12-20)27-22(28)14-13-21(24(29)26-15-3-2-4-16-26)23(27)17-5-7-18(25)8-6-17/h5-12,21,23H,2-4,13-16H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one has a molecular weight of 410.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 3239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).