1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone

C19H37N5O — CID 57442396

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
SMILESCN(C)CCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C19H37N5O/c1-20(2)7-8-21-9-11-22(12-10-21)17-19(25)24-15-13-23(14-16-24)18-5-3-4-6-18/h18H,3-17H2,1-2H3
InChIKeyHYAYLAYEAQXZRA-UHFFFAOYSA-N
MW351.54 g/mol
LogP0.25
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone (PubChem CID 57442396) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
PubChem CID57442396
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
SMILESCN(C)CCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C19H37N5O/c1-20(2)7-8-21-9-11-22(12-10-21)17-19(25)24-15-13-23(14-16-24)18-5-3-4-6-18/h18H,3-17H2,1-2H3
InChIKeyHYAYLAYEAQXZRA-UHFFFAOYSA-N
XLogP0.25
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone (CID 57442396) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone is CN(C)CCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
The InChIKey is HYAYLAYEAQXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-20(2)7-8-21-9-11-22(12-10-21)17-19(25)24-15-13-23(14-16-24)18-5-3-4-6-18/h18H,3-17H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone has a molecular weight of 351.54 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57442396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).