N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide

C17H33N3O — CID 58780596

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(C1CCCCC1)N1CCNCC1)C(C)C
InChIInChI=1S/C17H33N3O/c1-14(2)20(15(3)21)13-17(16-7-5-4-6-8-16)19-11-9-18-10-12-19/h14,16-18H,4-13H2,1-3H3
InChIKeyVRABHXIMXLEROP-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds5

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide (PubChem CID 58780596) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide
PubChem CID58780596
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(C1CCCCC1)N1CCNCC1)C(C)C
InChIInChI=1S/C17H33N3O/c1-14(2)20(15(3)21)13-17(16-7-5-4-6-8-16)19-11-9-18-10-12-19/h14,16-18H,4-13H2,1-3H3
InChIKeyVRABHXIMXLEROP-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
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-propan-2-ylacetamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide (CID 58780596) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide is CC(=O)N(CC(C1CCCCC1)N1CCNCC1)C(C)C.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide?
The InChIKey is VRABHXIMXLEROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)20(15(3)21)13-17(16-7-5-4-6-8-16)19-11-9-18-10-12-19/h14,16-18H,4-13H2,1-3H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.10, 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-propan-2-ylacetamide is sourced from PubChem (CID 58780596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).