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

C14H23N3O3 — CID 78787885

IUPAC2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H23N3O3/c1-2-5-15-13(18)11-16-6-8-17(9-7-16)14(19)12-4-3-10-20-12/h2,12H,1,3-11H2,(H,15,18)
InChIKeyALCATICVMFSHDT-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.39
Rot. Bonds5

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

2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 78787885) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID78787885
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H23N3O3/c1-2-5-15-13(18)11-16-6-8-17(9-7-16)14(19)12-4-3-10-20-12/h2,12H,1,3-11H2,(H,15,18)
InChIKeyALCATICVMFSHDT-UHFFFAOYSA-N
XLogP-0.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352513
2-[2-(piperidine-1-carbonyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 163345086
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837819
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 55354069
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 18229706
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 78787885) is 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ALCATICVMFSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-5-15-13(18)11-16-6-8-17(9-7-16)14(19)12-4-3-10-20-12/h2,12H,1,3-11H2,(H,15,18).
What are the key properties of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 281.36 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 78787885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).