methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate

C19H23N3O5 — CID 43074086

IUPACmethyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)c1cc(C)n(Cc2ccco2)c1C
InChIInChI=1S/C19H23N3O5/c1-12-9-15(13(2)22(12)11-14-5-4-8-27-14)19(25)21-7-6-20-18(24)16(21)10-17(23)26-3/h4-5,8-9,16H,6-7,10-11H2,1-3H3,(H,20,24)
InChIKeyMYQXVOLGRXCEPA-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.25
Rot. Bonds5

About methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 43074086) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate
PubChem CID43074086
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)c1cc(C)n(Cc2ccco2)c1C
InChIInChI=1S/C19H23N3O5/c1-12-9-15(13(2)22(12)11-14-5-4-8-27-14)19(25)21-7-6-20-18(24)16(21)10-17(23)26-3/h4-5,8-9,16H,6-7,10-11H2,1-3H3,(H,20,24)
InChIKeyMYQXVOLGRXCEPA-UHFFFAOYSA-N
XLogP1.25
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 71877422
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94151412
methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 4878165
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252292
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3963302
methyl 2-[2-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135596980
methyl 2-[(2R)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 95192507
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 30715286

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate (CID 43074086) is methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)c1cc(C)n(Cc2ccco2)c1C.
What is the InChIKey of methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is MYQXVOLGRXCEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-9-15(13(2)22(12)11-14-5-4-8-27-14)19(25)21-7-6-20-18(24)16(21)10-17(23)26-3/h4-5,8-9,16H,6-7,10-11H2,1-3H3,(H,20,24).
What are the key properties of methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 373.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 43074086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).