N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide

C26H27FN4O3 — CID 135951112

IUPACN-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=N\c2ccccc2OC)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-33-22-13-7-19(8-14-22)25(32)29-26(28-23-5-3-4-6-24(23)34-2)31-17-15-30(16-18-31)21-11-9-20(27)10-12-21/h3-14H,15-18H2,1-2H3,(H,28,29,32)
InChIKeyZXOVAMHLKGOWSW-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.08
Rot. Bonds5

About N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide

N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide (PubChem CID 135951112) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide
PubChem CID135951112
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=N\c2ccccc2OC)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-33-22-13-7-19(8-14-22)25(32)29-26(28-23-5-3-4-6-24(23)34-2)31-17-15-30(16-18-31)21-11-9-20(27)10-12-21/h3-14H,15-18H2,1-2H3,(H,28,29,32)
InChIKeyZXOVAMHLKGOWSW-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
4-fluoro-N-[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)carbonimidoyl]benzamide
CID 135951152
N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
CID 4528259
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450

Frequently Asked Questions

What is the IUPAC name of N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide?
The IUPAC name of N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide (CID 135951112) is N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide.
What is the SMILES notation for N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide?
The canonical SMILES for N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide is COc1ccc(C(=O)N/C(=N\c2ccccc2OC)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide?
The InChIKey is ZXOVAMHLKGOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-33-22-13-7-19(8-14-22)25(32)29-26(28-23-5-3-4-6-24(23)34-2)31-17-15-30(16-18-31)21-11-9-20(27)10-12-21/h3-14H,15-18H2,1-2H3,(H,28,29,32).
What are the key properties of N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide?
N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide has a molecular weight of 462.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide is sourced from PubChem (CID 135951112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).