N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide

C22H27N3O3 — CID 109046298

IUPACN-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)N3CCN(CC)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-3-24-13-15-25(16-14-24)22(27)18-7-5-17(6-8-18)21(26)23-19-9-11-20(12-10-19)28-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)
InChIKeyFZRJUHIRDVYQFH-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.12
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide (PubChem CID 109046298) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
PubChem CID109046298
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)N3CCN(CC)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-3-24-13-15-25(16-14-24)22(27)18-7-5-17(6-8-18)21(26)23-19-9-11-20(12-10-19)28-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)
InChIKeyFZRJUHIRDVYQFH-UHFFFAOYSA-N
XLogP3.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109154844
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 2915953
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 136579947
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide (CID 109046298) is N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide is CCOc1ccc(NC(=O)c2ccc(C(=O)N3CCN(CC)CC3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
The InChIKey is FZRJUHIRDVYQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-24-13-15-25(16-14-24)22(27)18-7-5-17(6-8-18)21(26)23-19-9-11-20(12-10-19)28-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).