N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide

C14H27N3O — CID 62405262

IUPACN-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide
SMILESCC(NC(=O)CN1CCNCC1)C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyWDHCVXLZIJPVQQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds4

About N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide

N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide (PubChem CID 62405262) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide
PubChem CID62405262
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide
SMILESCC(NC(=O)CN1CCNCC1)C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyWDHCVXLZIJPVQQ-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide (CID 62405262) is N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide is CC(NC(=O)CN1CCNCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide?
The InChIKey is WDHCVXLZIJPVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide?
N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 62405262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).