3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide

C28H29FN2O3 — CID 67671232

IUPAC3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide
SMILESCCc1cccc(C(=O)Nc2cccc(OC)c2)c1N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H29FN2O3/c1-3-19-6-4-9-25(28(33)30-23-7-5-8-24(18-23)34-2)26(19)31-16-14-21(15-17-31)27(32)20-10-12-22(29)13-11-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,30,33)
InChIKeyYQHDGVUMVQFULK-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.75
Rot. Bonds7

About 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide

3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide (PubChem CID 67671232) has the molecular formula C28H29FN2O3 and a molecular weight of 460.55 g/mol. Its IUPAC name is 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide
PubChem CID67671232
Molecular FormulaC28H29FN2O3
Molecular Weight460.55 g/mol
Exact Mass460.22
IUPAC Name3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide
SMILESCCc1cccc(C(=O)Nc2cccc(OC)c2)c1N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H29FN2O3/c1-3-19-6-4-9-25(28(33)30-23-7-5-8-24(18-23)34-2)26(19)31-16-14-21(15-17-31)27(32)20-10-12-22(29)13-11-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,30,33)
InChIKeyYQHDGVUMVQFULK-UHFFFAOYSA-N
XLogP5.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671427
N-(2,5-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67672525
N-(2,4-dimethoxyphenyl)-2-ethyl-3-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671432
2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 22357045
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethyl-3-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)benzamide
CID 22357053
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671429
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide
CID 19689829

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide (CID 67671232) is 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide is CCc1cccc(C(=O)Nc2cccc(OC)c2)c1N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is YQHDGVUMVQFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O3/c1-3-19-6-4-9-25(28(33)30-23-7-5-8-24(18-23)34-2)26(19)31-16-14-21(15-17-31)27(32)20-10-12-22(29)13-11-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,30,33).
What are the key properties of 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide?
3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 460.55 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 67671232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).