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

C21H38N4O — CID 58826276

IUPAC2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C21H38N4O/c26-21(18-22-14-16-24(17-15-22)19-6-2-3-7-19)25-12-8-20(9-13-25)23-10-4-1-5-11-23/h19-20H,1-18H2
InChIKeyNOWULRWMUMGKLV-UHFFFAOYSA-N
MW362.56 g/mol
LogP2.02
Rot. Bonds4

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

2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826276) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826276
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C21H38N4O/c26-21(18-22-14-16-24(17-15-22)19-6-2-3-7-19)25-12-8-20(9-13-25)23-10-4-1-5-11-23/h19-20H,1-18H2
InChIKeyNOWULRWMUMGKLV-UHFFFAOYSA-N
XLogP2.02
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826276) is 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(CN1CCN(C2CCCC2)CC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is NOWULRWMUMGKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O/c26-21(18-22-14-16-24(17-15-22)19-6-2-3-7-19)25-12-8-20(9-13-25)23-10-4-1-5-11-23/h19-20H,1-18H2.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 362.56 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).