1-(2-propoxyacetyl)piperidine-4-carbohydrazide

C11H21N3O3 — CID 63569974

IUPAC1-(2-propoxyacetyl)piperidine-4-carbohydrazide
SMILESCCCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H21N3O3/c1-2-7-17-8-10(15)14-5-3-9(4-6-14)11(16)13-12/h9H,2-8,12H2,1H3,(H,13,16)
InChIKeyQNRZGCUVAWKQRL-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.36
Rot. Bonds5

About 1-(2-propoxyacetyl)piperidine-4-carbohydrazide

1-(2-propoxyacetyl)piperidine-4-carbohydrazide (PubChem CID 63569974) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-propoxyacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-propoxyacetyl)piperidine-4-carbohydrazide
PubChem CID63569974
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(2-propoxyacetyl)piperidine-4-carbohydrazide
SMILESCCCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H21N3O3/c1-2-7-17-8-10(15)14-5-3-9(4-6-14)11(16)13-12/h9H,2-8,12H2,1H3,(H,13,16)
InChIKeyQNRZGCUVAWKQRL-UHFFFAOYSA-N
XLogP-0.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 1-(2-propoxyacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-propoxyacetyl)piperidine-4-carbohydrazide (CID 63569974) is 1-(2-propoxyacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-propoxyacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-propoxyacetyl)piperidine-4-carbohydrazide is CCCOCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2-propoxyacetyl)piperidine-4-carbohydrazide?
The InChIKey is QNRZGCUVAWKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-7-17-8-10(15)14-5-3-9(4-6-14)11(16)13-12/h9H,2-8,12H2,1H3,(H,13,16).
What are the key properties of 1-(2-propoxyacetyl)piperidine-4-carbohydrazide?
1-(2-propoxyacetyl)piperidine-4-carbohydrazide has a molecular weight of 243.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 63569974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).