1-ethylpiperidine-3-carbohydrazide

C8H17N3O — CID 68651092

IUPAC1-ethylpiperidine-3-carbohydrazide
SMILESCCN1CCCC(C(=O)NN)C1
InChIInChI=1S/C8H17N3O/c1-2-11-5-3-4-7(6-11)8(12)10-9/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyPJKJPEPKBLNWBI-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.29
Rot. Bonds2

About 1-ethylpiperidine-3-carbohydrazide

1-ethylpiperidine-3-carbohydrazide (PubChem CID 68651092) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-ethylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-ethylpiperidine-3-carbohydrazide
PubChem CID68651092
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-ethylpiperidine-3-carbohydrazide
SMILESCCN1CCCC(C(=O)NN)C1
InChIInChI=1S/C8H17N3O/c1-2-11-5-3-4-7(6-11)8(12)10-9/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyPJKJPEPKBLNWBI-UHFFFAOYSA-N
XLogP-0.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-N-hydroxypiperidine-3-carboxamide
CID 57080127
(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide
CID 26188676
1-(cyclohexylmethyl)piperidine-3-carbohydrazide
CID 45075063
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848066
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
CID 103484634
1-[2-(2-aminoethoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 103482277

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine-3-carbohydrazide?
The IUPAC name of 1-ethylpiperidine-3-carbohydrazide (CID 68651092) is 1-ethylpiperidine-3-carbohydrazide.
What is the SMILES notation for 1-ethylpiperidine-3-carbohydrazide?
The canonical SMILES for 1-ethylpiperidine-3-carbohydrazide is CCN1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-ethylpiperidine-3-carbohydrazide?
The InChIKey is PJKJPEPKBLNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-11-5-3-4-7(6-11)8(12)10-9/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 1-ethylpiperidine-3-carbohydrazide?
1-ethylpiperidine-3-carbohydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-3-carbohydrazide is sourced from PubChem (CID 68651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).