4-pentylpiperazin-2-one;prop-1-ene

C12H24N2O — CID 68905855

IUPAC4-pentylpiperazin-2-one;prop-1-ene
SMILESC=CC.CCCCCN1CCNC(=O)C1
InChIInChI=1S/C9H18N2O.C3H6/c1-2-3-4-6-11-7-5-10-9(12)8-11;1-3-2/h2-8H2,1H3,(H,10,12);3H,1H2,2H3
InChIKeySZOLBHRPSJEEAO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds4

About 4-pentylpiperazin-2-one;prop-1-ene

4-pentylpiperazin-2-one;prop-1-ene (PubChem CID 68905855) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-pentylpiperazin-2-one;prop-1-ene.

Molecular Properties

Compound Name4-pentylpiperazin-2-one;prop-1-ene
PubChem CID68905855
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-pentylpiperazin-2-one;prop-1-ene
SMILESC=CC.CCCCCN1CCNC(=O)C1
InChIInChI=1S/C9H18N2O.C3H6/c1-2-3-4-6-11-7-5-10-9(12)8-11;1-3-2/h2-8H2,1H3,(H,10,12);3H,1H2,2H3
InChIKeySZOLBHRPSJEEAO-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-pentylpiperazin-2-one;prop-1-ene?
The IUPAC name of 4-pentylpiperazin-2-one;prop-1-ene (CID 68905855) is 4-pentylpiperazin-2-one;prop-1-ene.
What is the SMILES notation for 4-pentylpiperazin-2-one;prop-1-ene?
The canonical SMILES for 4-pentylpiperazin-2-one;prop-1-ene is C=CC.CCCCCN1CCNC(=O)C1.
What is the InChIKey of 4-pentylpiperazin-2-one;prop-1-ene?
The InChIKey is SZOLBHRPSJEEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C3H6/c1-2-3-4-6-11-7-5-10-9(12)8-11;1-3-2/h2-8H2,1H3,(H,10,12);3H,1H2,2H3.
What are the key properties of 4-pentylpiperazin-2-one;prop-1-ene?
4-pentylpiperazin-2-one;prop-1-ene has a molecular weight of 212.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylpiperazin-2-one;prop-1-ene is sourced from PubChem (CID 68905855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).