7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide

C23H27N3O6 — CID 70382764

IUPAC7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc3c2OC(C(N)=O)C3=O)CC1
InChIInChI=1S/C23H27N3O6/c1-30-18-7-3-2-6-17(18)26-11-9-25(10-12-26)13-15(27)14-31-19-8-4-5-16-20(28)22(23(24)29)32-21(16)19/h2-8,15,22,27H,9-14H2,1H3,(H2,24,29)
InChIKeyHWSALFFGFYRLTA-UHFFFAOYSA-N
MW441.48 g/mol
LogP0.69
Rot. Bonds8

About 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide

7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide (PubChem CID 70382764) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide
PubChem CID70382764
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc3c2OC(C(N)=O)C3=O)CC1
InChIInChI=1S/C23H27N3O6/c1-30-18-7-3-2-6-17(18)26-11-9-25(10-12-26)13-15(27)14-31-19-8-4-5-16-20(28)22(23(24)29)32-21(16)19/h2-8,15,22,27H,9-14H2,1H3,(H2,24,29)
InChIKeyHWSALFFGFYRLTA-UHFFFAOYSA-N
XLogP0.69
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]xanthen-9-one
CID 122216516
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] 3,4,5-trimethoxybenzoate
CID 110183536
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260
1-(2,4-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 24761594
methyl N-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504727
1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 57391044

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide (CID 70382764) is 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide is COc1ccccc1N1CCN(CC(O)COc2cccc3c2OC(C(N)=O)C3=O)CC1.
What is the InChIKey of 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide?
The InChIKey is HWSALFFGFYRLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-30-18-7-3-2-6-17(18)26-11-9-25(10-12-26)13-15(27)14-31-19-8-4-5-16-20(28)22(23(24)29)32-21(16)19/h2-8,15,22,27H,9-14H2,1H3,(H2,24,29).
What are the key properties of 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide?
7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70382764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).