propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate

C22H26N4O6 — CID 54843567

IUPACpropyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)CNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H26N4O6/c1-2-10-32-20(28)13-17-21(29)23-8-9-26(17)19(27)14-24-15-5-3-6-16(12-15)25-22(30)18-7-4-11-31-18/h3-7,11-12,17,24H,2,8-10,13-14H2,1H3,(H,23,29)(H,25,30)
InChIKeyPGEMXUOCIMUWEF-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.61
Rot. Bonds9

About propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54843567) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54843567
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Namepropyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)CNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H26N4O6/c1-2-10-32-20(28)13-17-21(29)23-8-9-26(17)19(27)14-24-15-5-3-6-16(12-15)25-22(30)18-7-4-11-31-18/h3-7,11-12,17,24H,2,8-10,13-14H2,1H3,(H,23,29)(H,25,30)
InChIKeyPGEMXUOCIMUWEF-UHFFFAOYSA-N
XLogP1.61
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

propyl 2-[1-[2-[3-(2-methoxyethylcarbamoyl)anilino]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54836037
propyl 2-[(2R)-1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 40684007
propyl 2-[1-[2-(3,4-dichloroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54811873
butyl 2-[1-[2-[3-(ethylcarbamoyl)anilino]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54837924
propyl 2-[1-[2-(3-chloro-4-fluoroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54818689
butyl 2-[3-oxo-1-[2-(3-prop-2-enoxyanilino)acetyl]piperazin-2-yl]acetate
CID 54826407
propyl 2-[1-[2-(naphthalen-1-ylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54809310
butyl 2-[1-[2-(3,5-dichloroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54813251
butyl 2-[1-[2-(4-chloroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54810422
propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819731
butyl 2-[1-[2-(benzylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54813759
2-methylpropyl 2-[3-oxo-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-2-yl]acetate
CID 54833534

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate (CID 54843567) is propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1C(=O)CNc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is PGEMXUOCIMUWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-2-10-32-20(28)13-17-21(29)23-8-9-26(17)19(27)14-24-15-5-3-6-16(12-15)25-22(30)18-7-4-11-31-18/h3-7,11-12,17,24H,2,8-10,13-14H2,1H3,(H,23,29)(H,25,30).
What are the key properties of propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 442.47 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[2-[3-(furan-2-carbonylamino)anilino]acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54843567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).