1-(cyclohexylmethyl)piperidine-3-carbohydrazide

C13H25N3O — CID 45075063

IUPAC1-(cyclohexylmethyl)piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C13H25N3O/c14-15-13(17)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKeyKNJUMRGGNBYWIU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.27
Rot. Bonds3

About 1-(cyclohexylmethyl)piperidine-3-carbohydrazide

1-(cyclohexylmethyl)piperidine-3-carbohydrazide (PubChem CID 45075063) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)piperidine-3-carbohydrazide
PubChem CID45075063
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(cyclohexylmethyl)piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C13H25N3O/c14-15-13(17)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKeyKNJUMRGGNBYWIU-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.27
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'}

Analyze 1-(cyclohexylmethyl)piperidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide
CID 26188676
1-ethylpiperidine-3-carbohydrazide
CID 68651092
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-(cyclobutylmethyl)-N-(methoxymethyl)piperidine-3-carboxamide
CID 170901296
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-(cyclohexylmethyl)piperidine-3-carbohydrazide (CID 45075063) is 1-(cyclohexylmethyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-(cyclohexylmethyl)piperidine-3-carbohydrazide is NNC(=O)C1CCCN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
The InChIKey is KNJUMRGGNBYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-15-13(17)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
1-(cyclohexylmethyl)piperidine-3-carbohydrazide has a molecular weight of 239.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 45075063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).