methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate

C20H23N3O5 — CID 109030209

IUPACmethyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23N3O5/c1-27-20(26)15-5-2-3-6-16(15)21-18(24)8-9-22-10-12-23(13-11-22)19(25)17-7-4-14-28-17/h2-7,14H,8-13H2,1H3,(H,21,24)
InChIKeyXWPLPQNBJVWFKB-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate

methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate (PubChem CID 109030209) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
PubChem CID109030209
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Namemethyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23N3O5/c1-27-20(26)15-5-2-3-6-16(15)21-18(24)8-9-22-10-12-23(13-11-22)19(25)17-7-4-14-28-17/h2-7,14H,8-13H2,1H3,(H,21,24)
InChIKeyXWPLPQNBJVWFKB-UHFFFAOYSA-N
XLogP1.85
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(4-acetylpiperazin-1-yl)propanoylamino]benzoate
CID 109018375
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376096
dimethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 2414666
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate (CID 109030209) is methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate?
The InChIKey is XWPLPQNBJVWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-20(26)15-5-2-3-6-16(15)21-18(24)8-9-22-10-12-23(13-11-22)19(25)17-7-4-14-28-17/h2-7,14H,8-13H2,1H3,(H,21,24).
What are the key properties of methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate?
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate has a molecular weight of 385.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate is sourced from PubChem (CID 109030209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).