N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide

C16H31N3O — CID 58786652

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide
SMILESCCN(CC(C1CCCCC1)N1CCNCC1)C(C)=O
InChIInChI=1S/C16H31N3O/c1-3-18(14(2)20)13-16(15-7-5-4-6-8-15)19-11-9-17-10-12-19/h15-17H,3-13H2,1-2H3
InChIKeyYFKPLZMYGVVNJJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide (PubChem CID 58786652) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide
PubChem CID58786652
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide
SMILESCCN(CC(C1CCCCC1)N1CCNCC1)C(C)=O
InChIInChI=1S/C16H31N3O/c1-3-18(14(2)20)13-16(15-7-5-4-6-8-15)19-11-9-17-10-12-19/h15-17H,3-13H2,1-2H3
InChIKeyYFKPLZMYGVVNJJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide (CID 58786652) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide is CCN(CC(C1CCCCC1)N1CCNCC1)C(C)=O.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide?
The InChIKey is YFKPLZMYGVVNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-18(14(2)20)13-16(15-7-5-4-6-8-15)19-11-9-17-10-12-19/h15-17H,3-13H2,1-2H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide is sourced from PubChem (CID 58786652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).