4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide

C14H21N3O3 — CID 71783464

IUPAC4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-5-15-14(19)17-8-6-16(7-9-17)11-12(18)13-4-3-10-20-13/h2-4,10,12,18H,1,5-9,11H2,(H,15,19)
InChIKeyVJGBFOCNHXEXHV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.83
Rot. Bonds5

About 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 71783464) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID71783464
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-5-15-14(19)17-8-6-16(7-9-17)11-12(18)13-4-3-10-20-13/h2-4,10,12,18H,1,5-9,11H2,(H,15,19)
InChIKeyVJGBFOCNHXEXHV-UHFFFAOYSA-N
XLogP0.83
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.83
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

N-Ethyl-2-(furan-2-yl)-2-hydroxyethanimidic acid
CID 44778
2-(Furan-2-yl)morpholine
CID 24271512
Rac-1-(2-furyl)-2-(methylamino)ethanol
CID 11320981
2-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71783349
N'-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-N-(2-methoxyethyl)ethanediamide
CID 49670526
N-(2-(furan-2-yl)-2-hydroxypropyl)pivalamide
CID 71782531
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]ethanediamide
CID 71782594
1-(2-(Furan-2-yl)-2-hydroxypropyl)-3-(3-phenylpropyl)urea
CID 71782642
N1-(2-hydroxy-2-(5-methylfuran-2-yl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754432
N'-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 52314036
1-(Furan-2-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanol
CID 55025245
3-(dimethylamino)-N-[2-(furan-2-yl)ethyl]piperidine-1-carboxamide
CID 56827105

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 71783464) is 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(CC(O)c2ccco2)CC1.
What is the InChIKey of 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is VJGBFOCNHXEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-5-15-14(19)17-8-6-16(7-9-17)11-12(18)13-4-3-10-20-13/h2-4,10,12,18H,1,5-9,11H2,(H,15,19).
What are the key properties of 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 71783464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).