2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide

C18H35N3O2 — CID 66864175

IUPAC2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide
SMILESCCCCN1CCN(CC(=O)NC2CCCCC2OCC)CC1
InChIInChI=1S/C18H35N3O2/c1-3-5-10-20-11-13-21(14-12-20)15-18(22)19-16-8-6-7-9-17(16)23-4-2/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyMATUOGWCRZILGZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.87
Rot. Bonds8

About 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide

2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide (PubChem CID 66864175) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide
PubChem CID66864175
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide
SMILESCCCCN1CCN(CC(=O)NC2CCCCC2OCC)CC1
InChIInChI=1S/C18H35N3O2/c1-3-5-10-20-11-13-21(14-12-20)15-18(22)19-16-8-6-7-9-17(16)23-4-2/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyMATUOGWCRZILGZ-UHFFFAOYSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide (CID 66864175) is 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide is CCCCN1CCN(CC(=O)NC2CCCCC2OCC)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
The InChIKey is MATUOGWCRZILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-5-10-20-11-13-21(14-12-20)15-18(22)19-16-8-6-7-9-17(16)23-4-2/h16-17H,3-15H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide?
2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide has a molecular weight of 325.50 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-N-(2-ethoxycyclohexyl)acetamide is sourced from PubChem (CID 66864175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).