5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide

C20H26N2O3 — CID 175963546

IUPAC5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCC3CC3)cc2c1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C20H26N2O3/c1-13-19(20(23)21-15-7-9-22(2)10-8-15)17-11-16(5-6-18(17)25-13)24-12-14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyOPDHWPMVDXZYHV-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.35
Rot. Bonds5

About 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide

5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide (PubChem CID 175963546) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
PubChem CID175963546
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCC3CC3)cc2c1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C20H26N2O3/c1-13-19(20(23)21-15-7-9-22(2)10-8-15)17-11-16(5-6-18(17)25-13)24-12-14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyOPDHWPMVDXZYHV-UHFFFAOYSA-N
XLogP3.35
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 163380246
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
5-[cyclopropyl(dideuterio)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 178129111
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
tert-butyl (5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163379519
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide (CID 175963546) is 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCC3CC3)cc2c1C(=O)NC1CCN(C)CC1.
What is the InChIKey of 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide?
The InChIKey is OPDHWPMVDXZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-19(20(23)21-15-7-9-22(2)10-8-15)17-11-16(5-6-18(17)25-13)24-12-14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide?
5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175963546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).