3-oxo-3-piperidin-1-ylpropanehydrazide

C8H15N3O2 — CID 90180639

IUPAC3-oxo-3-piperidin-1-ylpropanehydrazide
SMILESNNC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C8H15N3O2/c9-10-7(12)6-8(13)11-4-2-1-3-5-11/h1-6,9H2,(H,10,12)
InChIKeyOSWILLDICABKGO-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds2

About 3-oxo-3-piperidin-1-ylpropanehydrazide

3-oxo-3-piperidin-1-ylpropanehydrazide (PubChem CID 90180639) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-oxo-3-piperidin-1-ylpropanehydrazide.

Molecular Properties

Compound Name3-oxo-3-piperidin-1-ylpropanehydrazide
PubChem CID90180639
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-oxo-3-piperidin-1-ylpropanehydrazide
SMILESNNC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C8H15N3O2/c9-10-7(12)6-8(13)11-4-2-1-3-5-11/h1-6,9H2,(H,10,12)
InChIKeyOSWILLDICABKGO-UHFFFAOYSA-N
XLogP-0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

2-Methyl-3-piperidin-1-ylpropanohydrazide
CID 3734228
3-(Piperidin-1-yl)propanehydrazide
CID 776458
3-(3,3-Difluoropiperidin-1-yl)propanehydrazide
CID 164657436
3-(2,6-Dioxopiperidin-1-yl)propanehydrazide
CID 23136080
3-(1-Methylpiperidin-1-ium-1-yl)propanehydrazide
CID 23136137
Methyl-[3-oxo-3-(piperidin-1-ylamino)propyl]carbamic acid
CID 89647552
3-Oxo-3-piperidin-1-ylpropanamide
CID 89778478
N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide
CID 126541849
(2S)-2-methyl-3-piperidin-1-ylpropanehydrazide
CID 776453
(2R)-2-methyl-3-piperidin-1-ylpropanehydrazide
CID 776456
3-(4-Methylpiperazin-1-yl)-3-oxopropanehydrazide
CID 2760036
3-Piperidin-1-ium-1-ylpropanehydrazide
CID 4201758

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-piperidin-1-ylpropanehydrazide?
The IUPAC name of 3-oxo-3-piperidin-1-ylpropanehydrazide (CID 90180639) is 3-oxo-3-piperidin-1-ylpropanehydrazide.
What is the SMILES notation for 3-oxo-3-piperidin-1-ylpropanehydrazide?
The canonical SMILES for 3-oxo-3-piperidin-1-ylpropanehydrazide is NNC(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 3-oxo-3-piperidin-1-ylpropanehydrazide?
The InChIKey is OSWILLDICABKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-10-7(12)6-8(13)11-4-2-1-3-5-11/h1-6,9H2,(H,10,12).
What are the key properties of 3-oxo-3-piperidin-1-ylpropanehydrazide?
3-oxo-3-piperidin-1-ylpropanehydrazide has a molecular weight of 185.23 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-piperidin-1-ylpropanehydrazide is sourced from PubChem (CID 90180639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).