(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide

C13H25N3O — CID 26188676

IUPAC(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide
SMILESNNC(=O)[C@@H]1CCCN(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)/t12-/m1/s1
InChIKeyKNJUMRGGNBYWIU-GFCCVEGCSA-N
MW239.36 g/mol
LogP1.27
Rot. Bonds3

About (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide

(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide (PubChem CID 26188676) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide
PubChem CID26188676
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide
SMILESNNC(=O)[C@@H]1CCCN(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)/t12-/m1/s1
InChIKeyKNJUMRGGNBYWIU-GFCCVEGCSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
The IUPAC name of (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide (CID 26188676) is (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide is NNC(=O)[C@@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
The InChIKey is KNJUMRGGNBYWIU-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide?
(3R)-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 (3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 26188676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).