propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C23H28N4O6 — CID 54819731

IUPACpropyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H28N4O6/c1-2-10-33-21(29)13-19-23(31)24-8-9-27(19)15-20(28)26-17-6-3-5-16(12-17)22(30)25-14-18-7-4-11-32-18/h3-7,11-12,19H,2,8-10,13-15H2,1H3,(H,24,31)(H,25,30)(H,26,28)
InChIKeyIFTDBWMXLDAPAX-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.29
Rot. Bonds10

About propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54819731) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54819731
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Namepropyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H28N4O6/c1-2-10-33-21(29)13-19-23(31)24-8-9-27(19)15-20(28)26-17-6-3-5-16(12-17)22(30)25-14-18-7-4-11-32-18/h3-7,11-12,19H,2,8-10,13-15H2,1H3,(H,24,31)(H,25,30)(H,26,28)
InChIKeyIFTDBWMXLDAPAX-UHFFFAOYSA-N
XLogP1.29
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819699
propyl 2-[3-oxo-1-[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]piperazin-2-yl]acetate
CID 54819765
butyl 2-[1-[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822729
propyl 2-[3-oxo-1-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]piperazin-2-yl]acetate
CID 54819832
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589
propyl 2-[1-[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819855
butyl 2-[1-[2-(3-chloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822781
propyl 2-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819756
propyl 2-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819883
butyl 2-[1-[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823094
butyl 2-[1-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823128
2-methylpropyl 2-[1-[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822442

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 54819731) is propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is IFTDBWMXLDAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-2-10-33-21(29)13-19-23(31)24-8-9-27(19)15-20(28)26-17-6-3-5-16(12-17)22(30)25-14-18-7-4-11-32-18/h3-7,11-12,19H,2,8-10,13-15H2,1H3,(H,24,31)(H,25,30)(H,26,28).
What are the key properties of propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 456.50 g/mol, XLogP of 1.29, 10 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-ylmethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54819731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).