(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C17H21NO4 — CID 121091409

IUPAC(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc3cccc(OC)c3o2)CC1
InChIInChI=1S/C17H21NO4/c1-20-11-12-6-8-18(9-7-12)17(19)15-10-13-4-3-5-14(21-2)16(13)22-15/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyLPSKBECMMSYGNZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.94
Rot. Bonds4

About (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 121091409) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID121091409
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc3cccc(OC)c3o2)CC1
InChIInChI=1S/C17H21NO4/c1-20-11-12-6-8-18(9-7-12)17(19)15-10-13-4-3-5-14(21-2)16(13)22-15/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyLPSKBECMMSYGNZ-UHFFFAOYSA-N
XLogP2.94
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 52992563
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126808733
(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
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
(7-methoxy-1-benzofuran-2-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332265
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 78867327
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 78868151

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 121091409) is (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cc3cccc(OC)c3o2)CC1.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is LPSKBECMMSYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-11-12-6-8-18(9-7-12)17(19)15-10-13-4-3-5-14(21-2)16(13)22-15/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 121091409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).