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

C29H31FN2O4 — CID 67671427

IUPACN-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
SMILESCCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN2O4/c1-4-19-6-5-7-24(29(34)31-25-13-12-23(35-2)18-26(25)36-3)27(19)32-16-14-21(15-17-32)28(33)20-8-10-22(30)11-9-20/h5-13,18,21H,4,14-17H2,1-3H3,(H,31,34)
InChIKeySVUKVWWEHKFBJO-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.76
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide (PubChem CID 67671427) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
PubChem CID67671427
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC NameN-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide
SMILESCCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN2O4/c1-4-19-6-5-7-24(29(34)31-25-13-12-23(35-2)18-26(25)36-3)27(19)32-16-14-21(15-17-32)28(33)20-8-10-22(30)11-9-20/h5-13,18,21H,4,14-17H2,1-3H3,(H,31,34)
InChIKeySVUKVWWEHKFBJO-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide (CID 67671427) is N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide is CCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
The InChIKey is SVUKVWWEHKFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-4-19-6-5-7-24(29(34)31-25-13-12-23(35-2)18-26(25)36-3)27(19)32-16-14-21(15-17-32)28(33)20-8-10-22(30)11-9-20/h5-13,18,21H,4,14-17H2,1-3H3,(H,31,34).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide?
N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]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 N-(2,4-dimethoxyphenyl)-3-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 67671427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).