4-pentyl-1-prop-2-enylpiperazin-2-one

C12H22N2O — CID 68905852

IUPAC4-pentyl-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN(CCCCC)CC1=O
InChIInChI=1S/C12H22N2O/c1-3-5-6-8-13-9-10-14(7-4-2)12(15)11-13/h4H,2-3,5-11H2,1H3
InChIKeyRZCPUGONJRXFQT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds6

About 4-pentyl-1-prop-2-enylpiperazin-2-one

4-pentyl-1-prop-2-enylpiperazin-2-one (PubChem CID 68905852) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-pentyl-1-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name4-pentyl-1-prop-2-enylpiperazin-2-one
PubChem CID68905852
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-pentyl-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN(CCCCC)CC1=O
InChIInChI=1S/C12H22N2O/c1-3-5-6-8-13-9-10-14(7-4-2)12(15)11-13/h4H,2-3,5-11H2,1H3
InChIKeyRZCPUGONJRXFQT-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1-prop-2-enylpiperazin-2-one?
The IUPAC name of 4-pentyl-1-prop-2-enylpiperazin-2-one (CID 68905852) is 4-pentyl-1-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 4-pentyl-1-prop-2-enylpiperazin-2-one?
The canonical SMILES for 4-pentyl-1-prop-2-enylpiperazin-2-one is C=CCN1CCN(CCCCC)CC1=O.
What is the InChIKey of 4-pentyl-1-prop-2-enylpiperazin-2-one?
The InChIKey is RZCPUGONJRXFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-6-8-13-9-10-14(7-4-2)12(15)11-13/h4H,2-3,5-11H2,1H3.
What are the key properties of 4-pentyl-1-prop-2-enylpiperazin-2-one?
4-pentyl-1-prop-2-enylpiperazin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 68905852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).