2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide

C13H23N3O2 — CID 60708203

IUPAC2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCC)CC1
InChIInChI=1S/C13H23N3O2/c1-3-5-13(18)16-9-7-15(8-10-16)11-12(17)14-6-4-2/h4H,2-3,5-11H2,1H3,(H,14,17)
InChIKeyJUGRZLHEWMXRQD-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.23
Rot. Bonds6

About 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide

2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide (PubChem CID 60708203) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
PubChem CID60708203
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCC)CC1
InChIInChI=1S/C13H23N3O2/c1-3-5-13(18)16-9-7-15(8-10-16)11-12(17)14-6-4-2/h4H,2-3,5-11H2,1H3,(H,14,17)
InChIKeyJUGRZLHEWMXRQD-UHFFFAOYSA-N
XLogP0.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-(2-amino-2-methylbutanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79805132
2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837894
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 79270934
2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451858
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520

Frequently Asked Questions

What is the IUPAC name of 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide (CID 60708203) is 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CCC)CC1.
What is the InChIKey of 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is JUGRZLHEWMXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-13(18)16-9-7-15(8-10-16)11-12(17)14-6-4-2/h4H,2-3,5-11H2,1H3,(H,14,17).
What are the key properties of 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide?
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 253.35 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 60708203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).