N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide

C29H31FN2O4 — CID 67671429

IUPACN-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
SMILESCCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1OC
InChIInChI=1S/C29H31FN2O4/c1-4-32(26-14-13-23(35-2)19-27(26)36-3)29(34)24-7-5-6-8-25(24)31-17-15-21(16-18-31)28(33)20-9-11-22(30)12-10-20/h5-14,19,21H,4,15-18H2,1-3H3
InChIKeyUYVFZWFBTSUZFV-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.61
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide

N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide (PubChem CID 67671429) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
PubChem CID67671429
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC NameN-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
SMILESCCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1OC
InChIInChI=1S/C29H31FN2O4/c1-4-32(26-14-13-23(35-2)19-27(26)36-3)29(34)24-7-5-6-8-25(24)31-17-15-21(16-18-31)28(33)20-9-11-22(30)12-10-20/h5-14,19,21H,4,15-18H2,1-3H3
InChIKeyUYVFZWFBTSUZFV-UHFFFAOYSA-N
XLogP5.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]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 N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide (CID 67671429) is N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide is CCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
The InChIKey is UYVFZWFBTSUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-4-32(26-14-13-23(35-2)19-27(26)36-3)29(34)24-7-5-6-8-25(24)31-17-15-21(16-18-31)28(33)20-9-11-22(30)12-10-20/h5-14,19,21H,4,15-18H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide has a molecular weight of 490.58 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 67671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).