4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide

C14H18N4O3 — CID 66074446

IUPAC4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide
SMILESCC1(C)C(=O)NC(=O)CN1Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C14H18N4O3/c1-14(2)13(21)16-11(19)8-18(14)7-9-3-5-10(6-4-9)12(20)17-15/h3-6H,7-8,15H2,1-2H3,(H,17,20)(H,16,19,21)
InChIKeyPBLYEWLSRPNNSA-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.47
Rot. Bonds3

About 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide

4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide (PubChem CID 66074446) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide
PubChem CID66074446
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide
SMILESCC1(C)C(=O)NC(=O)CN1Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C14H18N4O3/c1-14(2)13(21)16-11(19)8-18(14)7-9-3-5-10(6-4-9)12(20)17-15/h3-6H,7-8,15H2,1-2H3,(H,17,20)(H,16,19,21)
InChIKeyPBLYEWLSRPNNSA-UHFFFAOYSA-N
XLogP-0.47
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 66074560
4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699342
4-[[3-(aminomethyl)phenyl]methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075711
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 63581482
2-[2-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]phenyl]acetic acid
CID 115462958
4-[(3-amino-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075303
3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione
CID 66074649
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
CID 66076177
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
CID 66067870
4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075598

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide (CID 66074446) is 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide is CC1(C)C(=O)NC(=O)CN1Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide?
The InChIKey is PBLYEWLSRPNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2)13(21)16-11(19)8-18(14)7-9-3-5-10(6-4-9)12(20)17-15/h3-6H,7-8,15H2,1-2H3,(H,17,20)(H,16,19,21).
What are the key properties of 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide?
4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide has a molecular weight of 290.32 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 66074446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).