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

C17H32N4O — CID 57442398

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C17H32N4O/c1-2-18-7-9-19(10-8-18)15-17(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h16H,2-15H2,1H3
InChIKeyNLCLBCIXBALDRR-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.71
Rot. Bonds4

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

1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 57442398) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
PubChem CID57442398
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C17H32N4O/c1-2-18-7-9-19(10-8-18)15-17(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h16H,2-15H2,1H3
InChIKeyNLCLBCIXBALDRR-UHFFFAOYSA-N
XLogP0.71
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone (CID 57442398) is 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is NLCLBCIXBALDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-2-18-7-9-19(10-8-18)15-17(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h16H,2-15H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 308.47 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).