2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide

C14H25N3O3 — CID 79201471

IUPAC2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCC(C)O)CC1
InChIInChI=1S/C14H25N3O3/c1-3-6-15-13(19)11-16-7-9-17(10-8-16)14(20)5-4-12(2)18/h3,12,18H,1,4-11H2,2H3,(H,15,19)
InChIKeyCKCCJEVIXXUFMG-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.41
Rot. Bonds7

About 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 79201471) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID79201471
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCC(C)O)CC1
InChIInChI=1S/C14H25N3O3/c1-3-6-15-13(19)11-16-7-9-17(10-8-16)14(20)5-4-12(2)18/h3,12,18H,1,4-11H2,2H3,(H,15,19)
InChIKeyCKCCJEVIXXUFMG-UHFFFAOYSA-N
XLogP-0.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
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;dihydrochloride
CID 119837882
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
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-amino-2-methylbutanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79805132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 79201471) is 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CCC(C)O)CC1.
What is the InChIKey of 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is CKCCJEVIXXUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-6-15-13(19)11-16-7-9-17(10-8-16)14(20)5-4-12(2)18/h3,12,18H,1,4-11H2,2H3,(H,15,19).
What are the key properties of 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 283.37 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 79201471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).