1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone

C20H36N4O — CID 57442394

IUPAC1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N4O/c25-20(24-15-13-23(14-16-24)19-7-3-4-8-19)17-21-9-11-22(12-10-21)18-5-1-2-6-18/h18-19H,1-17H2
InChIKeyQVOVLPPQRDJEAC-UHFFFAOYSA-N
MW348.54 g/mol
LogP1.63
Rot. Bonds4

About 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone

1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 57442394) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID57442394
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N4O/c25-20(24-15-13-23(14-16-24)19-7-3-4-8-19)17-21-9-11-22(12-10-21)18-5-1-2-6-18/h18-19H,1-17H2
InChIKeyQVOVLPPQRDJEAC-UHFFFAOYSA-N
XLogP1.63
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone (CID 57442394) is 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone is O=C(CN1CCN(C2CCCC2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is QVOVLPPQRDJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c25-20(24-15-13-23(14-16-24)19-7-3-4-8-19)17-21-9-11-22(12-10-21)18-5-1-2-6-18/h18-19H,1-17H2.
What are the key properties of 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone?
1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 348.54 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).