1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide

C15H27N3O3 — CID 63575068

IUPAC1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
SMILESCC1CCCCC1OCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C15H27N3O3/c1-11-4-2-3-5-13(11)21-10-14(19)18-8-6-12(7-9-18)15(20)17-16/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyDYYPUNQLCMGJSA-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.81
Rot. Bonds4

About 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide

1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide (PubChem CID 63575068) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
PubChem CID63575068
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
SMILESCC1CCCCC1OCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C15H27N3O3/c1-11-4-2-3-5-13(11)21-10-14(19)18-8-6-12(7-9-18)15(20)17-16/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyDYYPUNQLCMGJSA-UHFFFAOYSA-N
XLogP0.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
CID 111560893
2-[(1S,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858715
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858714
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
CID 63568957
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide
CID 76999495
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 124691199
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]-4-phenylpiperidine-4-carboxylic acid
CID 124693096
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
CID 63588699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide (CID 63575068) is 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide is CC1CCCCC1OCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide?
The InChIKey is DYYPUNQLCMGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-4-2-3-5-13(11)21-10-14(19)18-8-6-12(7-9-18)15(20)17-16/h11-13H,2-10,16H2,1H3,(H,17,20).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide?
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide has a molecular weight of 297.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63575068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).