4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide

C26H32FN3O4 — CID 46016062

IUPAC4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)N2CCC(C(NC(=O)c3ccc(F)cc3)C(=O)NCC(C)C)CC2)c1
InChIInChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)19-7-9-21(27)10-8-19)18-11-13-30(14-12-18)26(33)20-5-4-6-22(15-20)34-3/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyZMWHDTXZCMUJER-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.26
Rot. Bonds8

About 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide

4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 46016062) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID46016062
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC Name4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)N2CCC(C(NC(=O)c3ccc(F)cc3)C(=O)NCC(C)C)CC2)c1
InChIInChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)19-7-9-21(27)10-8-19)18-11-13-30(14-12-18)26(33)20-5-4-6-22(15-20)34-3/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyZMWHDTXZCMUJER-UHFFFAOYSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 46016062) is 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is COc1cccc(C(=O)N2CCC(C(NC(=O)c3ccc(F)cc3)C(=O)NCC(C)C)CC2)c1.
What is the InChIKey of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is ZMWHDTXZCMUJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)19-7-9-21(27)10-8-19)18-11-13-30(14-12-18)26(33)20-5-4-6-22(15-20)34-3/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
4-fluoro-N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 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-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46016062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).