5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide

C11H22N4O2 — CID 55214840

IUPAC5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCC(N)CC2)O1
InChIInChI=1S/C11H22N4O2/c12-8-3-5-15(6-4-8)7-9-1-2-10(17-9)11(16)14-13/h8-10H,1-7,12-13H2,(H,14,16)
InChIKeyWPRVUBSDEKFDEY-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.05
Rot. Bonds3

About 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 55214840) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID55214840
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCC(N)CC2)O1
InChIInChI=1S/C11H22N4O2/c12-8-3-5-15(6-4-8)7-9-1-2-10(17-9)11(16)14-13/h8-10H,1-7,12-13H2,(H,14,16)
InChIKeyWPRVUBSDEKFDEY-UHFFFAOYSA-N
XLogP-1.05
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
CID 63578676
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxolane-2-carbohydrazide
CID 64578509
5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63573722
5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578294
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide (CID 55214840) is 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CN2CCC(N)CC2)O1.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is WPRVUBSDEKFDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c12-8-3-5-15(6-4-8)7-9-1-2-10(17-9)11(16)14-13/h8-10H,1-7,12-13H2,(H,14,16).
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 242.32 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 55214840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).