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

C13H24N4O3 — CID 63584925

IUPAC5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC(=O)N1CCCN(CC2CCC(C(=O)NN)O2)CC1
InChIInChI=1S/C13H24N4O3/c1-10(18)17-6-2-5-16(7-8-17)9-11-3-4-12(20-11)13(19)15-14/h11-12H,2-9,14H2,1H3,(H,15,19)
InChIKeyXOUKQQDMKAHXEV-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.92
Rot. Bonds3

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

5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63584925) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63584925
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC(=O)N1CCCN(CC2CCC(C(=O)NN)O2)CC1
InChIInChI=1S/C13H24N4O3/c1-10(18)17-6-2-5-16(7-8-17)9-11-3-4-12(20-11)13(19)15-14/h11-12H,2-9,14H2,1H3,(H,15,19)
InChIKeyXOUKQQDMKAHXEV-UHFFFAOYSA-N
XLogP-0.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
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-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63573722
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxolane-2-carbohydrazide
CID 64578509
1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 166542954
5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578294
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide (CID 63584925) is 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide is CC(=O)N1CCCN(CC2CCC(C(=O)NN)O2)CC1.
What is the InChIKey of 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is XOUKQQDMKAHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(18)17-6-2-5-16(7-8-17)9-11-3-4-12(20-11)13(19)15-14/h11-12H,2-9,14H2,1H3,(H,15,19).
What are the key properties of 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 284.36 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63584925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).