1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide

C13H25N3O2 — CID 69473843

IUPAC1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide
SMILESCC(C)C(C)(C)C(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H25N3O2/c1-9(2)13(3,4)12(18)16-7-5-10(6-8-16)11(17)15-14/h9-10H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyMTIBCRMJMVCTHX-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.90
Rot. Bonds3

About 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide

1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide (PubChem CID 69473843) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide
PubChem CID69473843
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide
SMILESCC(C)C(C)(C)C(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H25N3O2/c1-9(2)13(3,4)12(18)16-7-5-10(6-8-16)11(17)15-14/h9-10H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyMTIBCRMJMVCTHX-UHFFFAOYSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(2-hydroxyethyl)-1-(2,2,3-trimethylbutanoyl)piperidine-4-carboxamide
CID 69472897
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
CID 129182710
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide
CID 69472093
(3R)-3-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 146597457
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66231444
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide (CID 69473843) is 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide is CC(C)C(C)(C)C(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide?
The InChIKey is MTIBCRMJMVCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)13(3,4)12(18)16-7-5-10(6-8-16)11(17)15-14/h9-10H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide?
1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide has a molecular weight of 255.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 69473843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).