5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide

C11H19N3O3 — CID 55213682

IUPAC5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCCC2=O)O1
InChIInChI=1S/C11H19N3O3/c12-13-11(16)9-5-4-8(17-9)7-14-6-2-1-3-10(14)15/h8-9H,1-7,12H2,(H,13,16)
InChIKeyPKCSUPXXRHUTTD-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.46
Rot. Bonds3

About 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 55213682) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID55213682
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCCC2=O)O1
InChIInChI=1S/C11H19N3O3/c12-13-11(16)9-5-4-8(17-9)7-14-6-2-1-3-10(14)15/h8-9H,1-7,12H2,(H,13,16)
InChIKeyPKCSUPXXRHUTTD-UHFFFAOYSA-N
XLogP-0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.46
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

5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578294
5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
CID 63578676
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
CID 66076177
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63573722
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63795266
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63572269
(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
CID 120787050

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide (CID 55213682) is 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CN2CCCCC2=O)O1.
What is the InChIKey of 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is PKCSUPXXRHUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-13-11(16)9-5-4-8(17-9)7-14-6-2-1-3-10(14)15/h8-9H,1-7,12H2,(H,13,16).
What are the key properties of 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 241.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 55213682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).