2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide

C21H37N3O2 — CID 24719908

IUPAC2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H37N3O2/c1-3-22(2)21(26)19(17-9-7-8-10-17)23-13-15-24(16-14-23)20(25)18-11-5-4-6-12-18/h17-19H,3-16H2,1-2H3
InChIKeyMTJVELSXCJOIHK-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.75
Rot. Bonds5

About 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide (PubChem CID 24719908) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide
PubChem CID24719908
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H37N3O2/c1-3-22(2)21(26)19(17-9-7-8-10-17)23-13-15-24(16-14-23)20(25)18-11-5-4-6-12-18/h17-19H,3-16H2,1-2H3
InChIKeyMTJVELSXCJOIHK-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide (CID 24719908) is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide?
The InChIKey is MTJVELSXCJOIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-3-22(2)21(26)19(17-9-7-8-10-17)23-13-15-24(16-14-23)20(25)18-11-5-4-6-12-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide?
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide has a molecular weight of 363.55 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 24719908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).