4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide

C26H30FN3O4 — CID 46019196

IUPAC4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(=O)N2CCC(C(NC(=O)c3ccc(F)cc3)C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C26H30FN3O4/c1-34-22-6-4-5-20(17-22)25(32)30-15-11-18(12-16-30)23(26(33)29-13-2-3-14-29)28-24(31)19-7-9-21(27)10-8-19/h4-10,17-18,23H,2-3,11-16H2,1H3,(H,28,31)
InChIKeyCEIUFCIHBKKFMK-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.11
Rot. Bonds6

About 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide

4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 46019196) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID46019196
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(=O)N2CCC(C(NC(=O)c3ccc(F)cc3)C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C26H30FN3O4/c1-34-22-6-4-5-20(17-22)25(32)30-15-11-18(12-16-30)23(26(33)29-13-2-3-14-29)28-24(31)19-7-9-21(27)10-8-19/h4-10,17-18,23H,2-3,11-16H2,1H3,(H,28,31)
InChIKeyCEIUFCIHBKKFMK-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide (CID 46019196) is 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(=O)N2CCC(C(NC(=O)c3ccc(F)cc3)C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is CEIUFCIHBKKFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-34-22-6-4-5-20(17-22)25(32)30-15-11-18(12-16-30)23(26(33)29-13-2-3-14-29)28-24(31)19-7-9-21(27)10-8-19/h4-10,17-18,23H,2-3,11-16H2,1H3,(H,28,31).
What are the key properties of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 467.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 46019196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).