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

C29H31FN2O4 — CID 22357045

IUPAC2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide
SMILESCCc1c(C(=O)Nc2ccccc2OC)ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C29H31FN2O4/c1-4-22-23(29(34)31-24-7-5-6-8-26(24)35-2)13-14-25(28(22)36-3)32-17-15-20(16-18-32)27(33)19-9-11-21(30)12-10-19/h5-14,20H,4,15-18H2,1-3H3,(H,31,34)
InChIKeyFKMWZRFFDZKZOR-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.76
Rot. Bonds8

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

2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide (PubChem CID 22357045) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide
PubChem CID22357045
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC Name2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide
SMILESCCc1c(C(=O)Nc2ccccc2OC)ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C29H31FN2O4/c1-4-22-23(29(34)31-24-7-5-6-8-26(24)35-2)13-14-25(28(22)36-3)32-17-15-20(16-18-32)27(33)19-9-11-21(30)12-10-19/h5-14,20H,4,15-18H2,1-3H3,(H,31,34)
InChIKeyFKMWZRFFDZKZOR-UHFFFAOYSA-N
XLogP5.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-ethyl-3-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671432
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethyl-3-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)benzamide
CID 22357053
N-(2,5-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67672525
N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671427
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 173404581
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methoxyphenyl)benzamide
CID 67671232
N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
CID 67671429
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide (CID 22357045) is 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide is CCc1c(C(=O)Nc2ccccc2OC)ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1OC.
What is the InChIKey of 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide?
The InChIKey is FKMWZRFFDZKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-4-22-23(29(34)31-24-7-5-6-8-26(24)35-2)13-14-25(28(22)36-3)32-17-15-20(16-18-32)27(33)19-9-11-21(30)12-10-19/h5-14,20H,4,15-18H2,1-3H3,(H,31,34).
What are the key properties of 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide?
2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide has a molecular weight of 490.58 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 22357045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).