4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide

C22H24N6O4 — CID 166199982

IUPAC4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)cc2)CC1
InChIInChI=1S/C22H24N6O4/c1-2-26-11-13-27(14-12-26)20(30)16-3-7-17(8-4-16)23-19(29)15-5-9-18(10-6-15)28-22(32)24-21(31)25-28/h3-10H,2,11-14H2,1H3,(H,23,29)(H2,24,25,31,32)
InChIKeyACVCUTOGSVOPIY-UHFFFAOYSA-N
MW436.47 g/mol
LogP0.88
Rot. Bonds5

About 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide

4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 166199982) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID166199982
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)cc2)CC1
InChIInChI=1S/C22H24N6O4/c1-2-26-11-13-27(14-12-26)20(30)16-3-7-17(8-4-16)23-19(29)15-5-9-18(10-6-15)28-22(32)24-21(31)25-28/h3-10H,2,11-14H2,1H3,(H,23,29)(H2,24,25,31,32)
InChIKeyACVCUTOGSVOPIY-UHFFFAOYSA-N
XLogP0.88
TPSA123.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 136579947
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide
CID 167924236
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
CID 34221114
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
3,4,5-triethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17358334
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide (CID 166199982) is 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide is CCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)cc2)CC1.
What is the InChIKey of 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is ACVCUTOGSVOPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-2-26-11-13-27(14-12-26)20(30)16-3-7-17(8-4-16)23-19(29)15-5-9-18(10-6-15)28-22(32)24-21(31)25-28/h3-10H,2,11-14H2,1H3,(H,23,29)(H2,24,25,31,32).
What are the key properties of 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 436.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 166199982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).