4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one

C17H20N2O4 — CID 138996501

IUPAC4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1C(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C17H20N2O4/c1-3-5-12-16(20)18-8-9-19(12)17(21)14-10-11-6-4-7-13(22-2)15(11)23-14/h4,6-7,10,12H,3,5,8-9H2,1-2H3,(H,18,20)
InChIKeyWQEGIWMMQVUXRT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.18
Rot. Bonds4

About 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one

4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one (PubChem CID 138996501) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one
PubChem CID138996501
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1C(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C17H20N2O4/c1-3-5-12-16(20)18-8-9-19(12)17(21)14-10-11-6-4-7-13(22-2)15(11)23-14/h4,6-7,10,12H,3,5,8-9H2,1-2H3,(H,18,20)
InChIKeyWQEGIWMMQVUXRT-UHFFFAOYSA-N
XLogP2.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 59676253
4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one
CID 146085468
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126892491
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
N-ethyl-N-(2-hydroxyethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 110888631
2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 78890809
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533621

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one (CID 138996501) is 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one is CCCC1C(=O)NCCN1C(=O)c1cc2cccc(OC)c2o1.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one?
The InChIKey is WQEGIWMMQVUXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-5-12-16(20)18-8-9-19(12)17(21)14-10-11-6-4-7-13(22-2)15(11)23-14/h4,6-7,10,12H,3,5,8-9H2,1-2H3,(H,18,20).
What are the key properties of 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one?
4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one is sourced from PubChem (CID 138996501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).