5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide

C29H32FN3O4 — CID 1054167

IUPAC5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCc3ccc(F)cc3)c2)c(OC)c1
InChIInChI=1S/C29H32FN3O4/c1-19-12-14-33(15-13-19)26-11-8-22(32-29(35)24-10-9-23(36-2)17-27(24)37-3)16-25(26)28(34)31-18-20-4-6-21(30)7-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyWDXNHHBGVKOZSK-UHFFFAOYSA-N
MW505.59 g/mol
LogP5.26
Rot. Bonds8

About 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide

5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 1054167) has the molecular formula C29H32FN3O4 and a molecular weight of 505.59 g/mol. Its IUPAC name is 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID1054167
Molecular FormulaC29H32FN3O4
Molecular Weight505.59 g/mol
Exact Mass505.24
IUPAC Name5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCc3ccc(F)cc3)c2)c(OC)c1
InChIInChI=1S/C29H32FN3O4/c1-19-12-14-33(15-13-19)26-11-8-22(32-29(35)24-10-9-23(36-2)17-27(24)37-3)16-25(26)28(34)31-18-20-4-6-21(30)7-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyWDXNHHBGVKOZSK-UHFFFAOYSA-N
XLogP5.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1064743
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065631
5-[(4-butoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 3526852
5-[(4-ethylbenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 4288926
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-pyrrolidin-1-ylphenyl]-2,6-dimethoxybenzamide
CID 1063571
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
N-[(4-fluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 3978424
5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5158439
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6255695

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide (CID 1054167) is 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCc3ccc(F)cc3)c2)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is WDXNHHBGVKOZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O4/c1-19-12-14-33(15-13-19)26-11-8-22(32-29(35)24-10-9-23(36-2)17-27(24)37-3)16-25(26)28(34)31-18-20-4-6-21(30)7-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,31,34)(H,32,35).
What are the key properties of 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide?
5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 505.59 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 1054167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).