1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone

C21H39N5O2 — CID 57442385

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCN2CCOCC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H39N5O2/c27-21(26-13-11-25(12-14-26)20-3-1-2-4-20)19-24-9-7-22(8-10-24)5-6-23-15-17-28-18-16-23/h20H,1-19H2
InChIKeyIPQICXOWXRBCDC-UHFFFAOYSA-N
MW393.58 g/mol
LogP0.02
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone (PubChem CID 57442385) has the molecular formula C21H39N5O2 and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
PubChem CID57442385
Molecular FormulaC21H39N5O2
Molecular Weight393.58 g/mol
Exact Mass393.31
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCN2CCOCC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H39N5O2/c27-21(26-13-11-25(12-14-26)20-3-1-2-4-20)19-24-9-7-22(8-10-24)5-6-23-15-17-28-18-16-23/h20H,1-19H2
InChIKeyIPQICXOWXRBCDC-UHFFFAOYSA-N
XLogP0.02
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone (CID 57442385) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CCN2CCOCC2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is IPQICXOWXRBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O2/c27-21(26-13-11-25(12-14-26)20-3-1-2-4-20)19-24-9-7-22(8-10-24)5-6-23-15-17-28-18-16-23/h20H,1-19H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 393.58 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57442385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).