(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C20H23N3O3 — CID 97132095

IUPAC(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3ccn(C)n3)oc2c1
InChIInChI=1S/C20H23N3O3/c1-13-15-8-7-14(25-3)12-18(15)26-19(13)20(24)23-10-5-4-6-17(23)16-9-11-22(2)21-16/h7-9,11-12,17H,4-6,10H2,1-3H3/t17-/m1/s1
InChIKeyLFQJWVVQSSHALC-QGZVFWFLSA-N
MW353.42 g/mol
LogP3.85
Rot. Bonds3

About (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 97132095) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID97132095
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3ccn(C)n3)oc2c1
InChIInChI=1S/C20H23N3O3/c1-13-15-8-7-14(25-3)12-18(15)26-19(13)20(24)23-10-5-4-6-17(23)16-9-11-22(2)21-16/h7-9,11-12,17H,4-6,10H2,1-3H3/t17-/m1/s1
InChIKeyLFQJWVVQSSHALC-QGZVFWFLSA-N
XLogP3.85
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078232
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9049227
(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 97122316
(3,6-dimethyl-1-benzofuran-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70740941
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
[2-(1-methylpyrazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225788
4,6-dimethyl-3-[(2R)-2-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97123718
[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 97123063
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70738903
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70754964

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 97132095) is (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is COc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3ccn(C)n3)oc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LFQJWVVQSSHALC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-15-8-7-14(25-3)12-18(15)26-19(13)20(24)23-10-5-4-6-17(23)16-9-11-22(2)21-16/h7-9,11-12,17H,4-6,10H2,1-3H3/t17-/m1/s1.
What are the key properties of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97132095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).