1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide

C25H28FN3O4 — CID 3241907

IUPAC1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCC(C(N)=O)CC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FN3O4/c1-33-20-8-6-19(7-9-20)29-22(30)11-10-21(23(29)16-2-4-18(26)5-3-16)25(32)28-14-12-17(13-15-28)24(27)31/h2-9,17,21,23H,10-15H2,1H3,(H2,27,31)
InChIKeyVYDAEZRARBZIHC-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide

1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 3241907) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID3241907
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCC(C(N)=O)CC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FN3O4/c1-33-20-8-6-19(7-9-20)29-22(30)11-10-21(23(29)16-2-4-18(26)5-3-16)25(32)28-14-12-17(13-15-28)24(27)31/h2-9,17,21,23H,10-15H2,1H3,(H2,27,31)
InChIKeyVYDAEZRARBZIHC-UHFFFAOYSA-N
XLogP3.04
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide (CID 3241907) is 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)N3CCC(C(N)=O)CC3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is VYDAEZRARBZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-33-20-8-6-19(7-9-20)29-22(30)11-10-21(23(29)16-2-4-18(26)5-3-16)25(32)28-14-12-17(13-15-28)24(27)31/h2-9,17,21,23H,10-15H2,1H3,(H2,27,31).
What are the key properties of 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3241907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).