N-propan-2-ylpiperidine-1-carbohydrazide

C9H19N3O — CID 122518642

IUPACN-propan-2-ylpiperidine-1-carbohydrazide
SMILESCC(C)N(N)C(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c1-8(2)12(10)9(13)11-6-4-3-5-7-11/h8H,3-7,10H2,1-2H3
InChIKeyBTNOMJCEEWRATD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds1

About N-propan-2-ylpiperidine-1-carbohydrazide

N-propan-2-ylpiperidine-1-carbohydrazide (PubChem CID 122518642) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-propan-2-ylpiperidine-1-carbohydrazide.

Molecular Properties

Compound NameN-propan-2-ylpiperidine-1-carbohydrazide
PubChem CID122518642
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-propan-2-ylpiperidine-1-carbohydrazide
SMILESCC(C)N(N)C(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c1-8(2)12(10)9(13)11-6-4-3-5-7-11/h8H,3-7,10H2,1-2H3
InChIKeyBTNOMJCEEWRATD-UHFFFAOYSA-N
XLogP1.18
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpiperidine-1-carbohydrazide?
The IUPAC name of N-propan-2-ylpiperidine-1-carbohydrazide (CID 122518642) is N-propan-2-ylpiperidine-1-carbohydrazide.
What is the SMILES notation for N-propan-2-ylpiperidine-1-carbohydrazide?
The canonical SMILES for N-propan-2-ylpiperidine-1-carbohydrazide is CC(C)N(N)C(=O)N1CCCCC1.
What is the InChIKey of N-propan-2-ylpiperidine-1-carbohydrazide?
The InChIKey is BTNOMJCEEWRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(2)12(10)9(13)11-6-4-3-5-7-11/h8H,3-7,10H2,1-2H3.
What are the key properties of N-propan-2-ylpiperidine-1-carbohydrazide?
N-propan-2-ylpiperidine-1-carbohydrazide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpiperidine-1-carbohydrazide is sourced from PubChem (CID 122518642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).