1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one

C12H22N2O — CID 6466246

IUPAC1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
SMILESC=CCN1CCN(C(=O)CCCC)CC1
InChIInChI=1S/C12H22N2O/c1-3-5-6-12(15)14-10-8-13(7-4-2)9-11-14/h4H,2-3,5-11H2,1H3
InChIKeyBDCNRDTWRNAASJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one

1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one (PubChem CID 6466246) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
PubChem CID6466246
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
SMILESC=CCN1CCN(C(=O)CCCC)CC1
InChIInChI=1S/C12H22N2O/c1-3-5-6-12(15)14-10-8-13(7-4-2)9-11-14/h4H,2-3,5-11H2,1H3
InChIKeyBDCNRDTWRNAASJ-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71782652
1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 131950880
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
CID 2050807
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
2-ethyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)hexan-1-one
CID 110280914
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one (CID 6466246) is 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one is C=CCN1CCN(C(=O)CCCC)CC1.
What is the InChIKey of 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
The InChIKey is BDCNRDTWRNAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-6-12(15)14-10-8-13(7-4-2)9-11-14/h4H,2-3,5-11H2,1H3.
What are the key properties of 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 6466246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).