N'-acetylpiperidine-2-carbohydrazide;hydrochloride

C8H16ClN3O2 — CID 21144425

IUPACN'-acetylpiperidine-2-carbohydrazide;hydrochloride
SMILESCC(=O)NNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-6(12)10-11-8(13)7-4-2-3-5-9-7;/h7,9H,2-5H2,1H3,(H,10,12)(H,11,13);1H
InChIKeyGXJAGECJDOGHJW-UHFFFAOYSA-N
MW221.69 g/mol
LogP-0.28
Rot. Bonds1

About N'-acetylpiperidine-2-carbohydrazide;hydrochloride

N'-acetylpiperidine-2-carbohydrazide;hydrochloride (PubChem CID 21144425) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is N'-acetylpiperidine-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-acetylpiperidine-2-carbohydrazide;hydrochloride
PubChem CID21144425
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC NameN'-acetylpiperidine-2-carbohydrazide;hydrochloride
SMILESCC(=O)NNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-6(12)10-11-8(13)7-4-2-3-5-9-7;/h7,9H,2-5H2,1H3,(H,10,12)(H,11,13);1H
InChIKeyGXJAGECJDOGHJW-UHFFFAOYSA-N
XLogP-0.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-acetylpiperidine-2-carbohydrazide;hydrochloride?
The IUPAC name of N'-acetylpiperidine-2-carbohydrazide;hydrochloride (CID 21144425) is N'-acetylpiperidine-2-carbohydrazide;hydrochloride.
What is the SMILES notation for N'-acetylpiperidine-2-carbohydrazide;hydrochloride?
The canonical SMILES for N'-acetylpiperidine-2-carbohydrazide;hydrochloride is CC(=O)NNC(=O)C1CCCCN1.Cl.
What is the InChIKey of N'-acetylpiperidine-2-carbohydrazide;hydrochloride?
The InChIKey is GXJAGECJDOGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-6(12)10-11-8(13)7-4-2-3-5-9-7;/h7,9H,2-5H2,1H3,(H,10,12)(H,11,13);1H.
What are the key properties of N'-acetylpiperidine-2-carbohydrazide;hydrochloride?
N'-acetylpiperidine-2-carbohydrazide;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetylpiperidine-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 21144425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).