N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide

C13H25N3O — CID 22762711

IUPACN-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide
SMILESCC1CCC(NC(=O)CN2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyCAAOEHIVBPMQOK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide

N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide (PubChem CID 22762711) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide
PubChem CID22762711
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide
SMILESCC1CCC(NC(=O)CN2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyCAAOEHIVBPMQOK-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide (CID 22762711) is N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide is CC1CCC(NC(=O)CN2CCNCC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide?
The InChIKey is CAAOEHIVBPMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide?
N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 22762711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).