1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide

C15H28N4O2 — CID 63583399

IUPAC1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESCCCCN(CC(=O)N1CCC(C(=O)NN)CC1)C1CC1
InChIInChI=1S/C15H28N4O2/c1-2-3-8-19(13-4-5-13)11-14(20)18-9-6-12(7-10-18)15(21)17-16/h12-13H,2-11,16H2,1H3,(H,17,21)
InChIKeyXSHCGGGATQJIND-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.48
Rot. Bonds7

About 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide

1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide (PubChem CID 63583399) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide
PubChem CID63583399
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESCCCCN(CC(=O)N1CCC(C(=O)NN)CC1)C1CC1
InChIInChI=1S/C15H28N4O2/c1-2-3-8-19(13-4-5-13)11-14(20)18-9-6-12(7-10-18)15(21)17-16/h12-13H,2-11,16H2,1H3,(H,17,21)
InChIKeyXSHCGGGATQJIND-UHFFFAOYSA-N
XLogP0.48
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[cyclopropyl(propyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63572523
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63573012
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
2-[[2-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 63574037
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66231444
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide (CID 63583399) is 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide is CCCCN(CC(=O)N1CCC(C(=O)NN)CC1)C1CC1.
What is the InChIKey of 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide?
The InChIKey is XSHCGGGATQJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-3-8-19(13-4-5-13)11-14(20)18-9-6-12(7-10-18)15(21)17-16/h12-13H,2-11,16H2,1H3,(H,17,21).
What are the key properties of 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide?
1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide has a molecular weight of 296.41 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63583399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).