1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone

C20H36N4O2 — CID 57442412

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCOCC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N4O2/c25-20(24-11-9-22(10-12-24)18-3-1-2-4-18)17-21-7-5-19(6-8-21)23-13-15-26-16-14-23/h18-19H,1-17H2
InChIKeyBOSYYDLUBKGSJW-UHFFFAOYSA-N
MW364.53 g/mol
LogP0.87
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 57442412) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID57442412
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCOCC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N4O2/c25-20(24-11-9-22(10-12-24)18-3-1-2-4-18)17-21-7-5-19(6-8-21)23-13-15-26-16-14-23/h18-19H,1-17H2
InChIKeyBOSYYDLUBKGSJW-UHFFFAOYSA-N
XLogP0.87
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 50.87
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-morpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone (CID 57442412) is 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone is O=C(CN1CCC(N2CCOCC2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is BOSYYDLUBKGSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c25-20(24-11-9-22(10-12-24)18-3-1-2-4-18)17-21-7-5-19(6-8-21)23-13-15-26-16-14-23/h18-19H,1-17H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 364.53 g/mol, XLogP of 0.87, 4 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-morpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 57442412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).