2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

C19H36N4O — CID 57442400

IUPAC2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCCCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-2-3-8-20-9-11-21(12-10-20)17-19(24)23-15-13-22(14-16-23)18-6-4-5-7-18/h18H,2-17H2,1H3
InChIKeyUPXRSYHTPJPBGZ-UHFFFAOYSA-N
MW336.52 g/mol
LogP1.49
Rot. Bonds6

About 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 57442400) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID57442400
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCCCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-2-3-8-20-9-11-21(12-10-20)17-19(24)23-15-13-22(14-16-23)18-6-4-5-7-18/h18H,2-17H2,1H3
InChIKeyUPXRSYHTPJPBGZ-UHFFFAOYSA-N
XLogP1.49
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (CID 57442400) is 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is CCCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is UPXRSYHTPJPBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-2-3-8-20-9-11-21(12-10-20)17-19(24)23-15-13-22(14-16-23)18-6-4-5-7-18/h18H,2-17H2,1H3.
What are the key properties of 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 336.52 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).