N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide

C12H24N4O2 — CID 71192546

IUPACN'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide
SMILESCC(C)(C)C1CCN(C(=O)CC(=O)NNN)CC1
InChIInChI=1S/C12H24N4O2/c1-12(2,3)9-4-6-16(7-5-9)11(18)8-10(17)14-15-13/h9,15H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyZDCNXQQITPODHD-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.16
Rot. Bonds3

About N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide

N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide (PubChem CID 71192546) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide.

Molecular Properties

Compound NameN'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide
PubChem CID71192546
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide
SMILESCC(C)(C)C1CCN(C(=O)CC(=O)NNN)CC1
InChIInChI=1S/C12H24N4O2/c1-12(2,3)9-4-6-16(7-5-9)11(18)8-10(17)14-15-13/h9,15H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyZDCNXQQITPODHD-UHFFFAOYSA-N
XLogP0.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide?
The IUPAC name of N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide (CID 71192546) is N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide.
What is the SMILES notation for N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide?
The canonical SMILES for N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide is CC(C)(C)C1CCN(C(=O)CC(=O)NNN)CC1.
What is the InChIKey of N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide?
The InChIKey is ZDCNXQQITPODHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(2,3)9-4-6-16(7-5-9)11(18)8-10(17)14-15-13/h9,15H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide?
N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide has a molecular weight of 256.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide is sourced from PubChem (CID 71192546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).