5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide

C13H26N4O3 — CID 107226639

IUPAC5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCN(CCO)CC2)O1
InChIInChI=1S/C13H26N4O3/c14-15-13(19)12-3-2-11(20-12)10-17-5-1-4-16(6-7-17)8-9-18/h11-12,18H,1-10,14H2,(H,15,19)
InChIKeyMAOIBQBAYKFJBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.48
Rot. Bonds5

About 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide

5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide (PubChem CID 107226639) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
PubChem CID107226639
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCN(CCO)CC2)O1
InChIInChI=1S/C13H26N4O3/c14-15-13(19)12-3-2-11(20-12)10-17-5-1-4-16(6-7-17)8-9-18/h11-12,18H,1-10,14H2,(H,15,19)
InChIKeyMAOIBQBAYKFJBZ-UHFFFAOYSA-N
XLogP-1.48
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472
5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
CID 63578676
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxolane-2-carbohydrazide
CID 64578509
5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578294
5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63573722
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63571905

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide (CID 107226639) is 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CN2CCCN(CCO)CC2)O1.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide?
The InChIKey is MAOIBQBAYKFJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c14-15-13(19)12-3-2-11(20-12)10-17-5-1-4-16(6-7-17)8-9-18/h11-12,18H,1-10,14H2,(H,15,19).
What are the key properties of 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide?
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide has a molecular weight of 286.38 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 107226639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).