1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide

C14H24N4O3 — CID 66372022

IUPAC1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CN2CC3CCC(C2)O3)CC1
InChIInChI=1S/C14H24N4O3/c15-16-14(20)10-3-5-18(6-4-10)13(19)9-17-7-11-1-2-12(8-17)21-11/h10-12H,1-9,15H2,(H,16,20)
InChIKeyZQWACAWZRDVFNP-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.92
Rot. Bonds3

About 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide

1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide (PubChem CID 66372022) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide
PubChem CID66372022
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CN2CC3CCC(C2)O3)CC1
InChIInChI=1S/C14H24N4O3/c15-16-14(20)10-3-5-18(6-4-10)13(19)9-17-7-11-1-2-12(8-17)21-11/h10-12H,1-9,15H2,(H,16,20)
InChIKeyZQWACAWZRDVFNP-UHFFFAOYSA-N
XLogP-0.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
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

1-(2-morpholin-4-ylacetyl)piperidine-4-carbohydrazide
CID 63570302
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
1-[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]piperidine-4-carbohydrazide
CID 63569165
1-[2-(4-methoxypiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63571418
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63571429
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
1-(2-pyrazol-1-ylacetyl)piperidine-4-carbohydrazide
CID 63573929
1-[2-(2,4-dimethylpiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63572968
1-(2-hydrazinyl-2-oxoethyl)piperidine-4-carbohydrazide
CID 3282644
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63577626
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 60702456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide (CID 66372022) is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)CN2CC3CCC(C2)O3)CC1.
What is the InChIKey of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is ZQWACAWZRDVFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c15-16-14(20)10-3-5-18(6-4-10)13(19)9-17-7-11-1-2-12(8-17)21-11/h10-12H,1-9,15H2,(H,16,20).
What are the key properties of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide?
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 296.37 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 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 66372022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).