1-acetylpiperidine-2-carbohydrazide;ethane

C12H27N3O2 — CID 144674875

IUPAC1-acetylpiperidine-2-carbohydrazide;ethane
SMILESCC.CC.CC(=O)N1CCCCC1C(=O)NN
InChIInChI=1S/C8H15N3O2.2C2H6/c1-6(12)11-5-3-2-4-7(11)8(13)10-9;2*1-2/h7H,2-5,9H2,1H3,(H,10,13);2*1-2H3
InChIKeyJANOLJUAICTPRU-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.43
Rot. Bonds1

About 1-acetylpiperidine-2-carbohydrazide;ethane

1-acetylpiperidine-2-carbohydrazide;ethane (PubChem CID 144674875) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-acetylpiperidine-2-carbohydrazide;ethane.

Molecular Properties

Compound Name1-acetylpiperidine-2-carbohydrazide;ethane
PubChem CID144674875
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name1-acetylpiperidine-2-carbohydrazide;ethane
SMILESCC.CC.CC(=O)N1CCCCC1C(=O)NN
InChIInChI=1S/C8H15N3O2.2C2H6/c1-6(12)11-5-3-2-4-7(11)8(13)10-9;2*1-2/h7H,2-5,9H2,1H3,(H,10,13);2*1-2H3
InChIKeyJANOLJUAICTPRU-UHFFFAOYSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.43
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

(2S)-aminobutyryl-(R)-pipecolinic acid amide
CID 11672950
Piperidine-2-carbohydrazide
CID 420449
(2S)-aminobutyryl-L-pipecolinic acid n-butylamide
CID 11550769
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]hexanamide
CID 73355299
N-(1,5-Bis-hydrazinocarbonyl-pentyl)-acetamide
CID 487245
6-Oxopiperidine-2-carbohydrazide
CID 487253
2-Piperidinecarboxylic acid, monohydrochloride
CID 21144425
1-Acetylpiperidine-2-carboxamide
CID 17816017
Tetramethyllysine hydrazide
CID 129819779
N'-acetylpiperidine-2-carbohydrazide
CID 419430
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
2-(2-Oxopiperidin-1-yl)acetohydrazide
CID 13150938

Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-2-carbohydrazide;ethane?
The IUPAC name of 1-acetylpiperidine-2-carbohydrazide;ethane (CID 144674875) is 1-acetylpiperidine-2-carbohydrazide;ethane.
What is the SMILES notation for 1-acetylpiperidine-2-carbohydrazide;ethane?
The canonical SMILES for 1-acetylpiperidine-2-carbohydrazide;ethane is CC.CC.CC(=O)N1CCCCC1C(=O)NN.
What is the InChIKey of 1-acetylpiperidine-2-carbohydrazide;ethane?
The InChIKey is JANOLJUAICTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.2C2H6/c1-6(12)11-5-3-2-4-7(11)8(13)10-9;2*1-2/h7H,2-5,9H2,1H3,(H,10,13);2*1-2H3.
What are the key properties of 1-acetylpiperidine-2-carbohydrazide;ethane?
1-acetylpiperidine-2-carbohydrazide;ethane has a molecular weight of 245.37 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-2-carbohydrazide;ethane is sourced from PubChem (CID 144674875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).