1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide

C11H21N3O2 — CID 54793989

IUPAC1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyDKSDDPUBKUBYJJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.26
Rot. Bonds1

About 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide

1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide (PubChem CID 54793989) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
PubChem CID54793989
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyDKSDDPUBKUBYJJ-UHFFFAOYSA-N
XLogP0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.26
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

1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide (CID 54793989) is 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide is CC(C)(C)C(=O)N1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide?
The InChIKey is DKSDDPUBKUBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide?
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide has a molecular weight of 227.31 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 54793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).