1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide

C18H22N2O4 — CID 51078232

IUPAC1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C18H22N2O4/c1-11-13-10-12(23-3)7-8-15(13)24-16(11)18(22)20-9-5-4-6-14(20)17(21)19-2/h7-8,10,14H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyHLAATYOXFUVAFT-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.49
Rot. Bonds3

About 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide

1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 51078232) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID51078232
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C18H22N2O4/c1-11-13-10-12(23-3)7-8-15(13)24-16(11)18(22)20-9-5-4-6-14(20)17(21)19-2/h7-8,10,14H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyHLAATYOXFUVAFT-UHFFFAOYSA-N
XLogP2.49
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 8502430
1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 60553388
methyl (2S)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-2-carboxylate
CID 26401420
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9049227
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 97132095
1-(6-methoxy-1H-indole-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078250
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 136587421

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide (CID 51078232) is 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is HLAATYOXFUVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-13-10-12(23-3)7-8-15(13)24-16(11)18(22)20-9-5-4-6-14(20)17(21)19-2/h7-8,10,14H,4-6,9H2,1-3H3,(H,19,21).
What are the key properties of 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 51078232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).