(3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone

C22H25N3O2 — CID 24790220

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(Cc4ncccc4C)CC3)c(C)c2c1
InChIInChI=1S/C22H25N3O2/c1-15-6-7-20-18(13-15)17(3)21(27-20)22(26)25-11-9-24(10-12-25)14-19-16(2)5-4-8-23-19/h4-8,13H,9-12,14H2,1-3H3
InChIKeyMEEKQABNPVEYMV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.71
Rot. Bonds3

About (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone

(3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 24790220) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID24790220
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(Cc4ncccc4C)CC3)c(C)c2c1
InChIInChI=1S/C22H25N3O2/c1-15-6-7-20-18(13-15)17(3)21(27-20)22(26)25-11-9-24(10-12-25)14-19-16(2)5-4-8-23-19/h4-8,13H,9-12,14H2,1-3H3
InChIKeyMEEKQABNPVEYMV-UHFFFAOYSA-N
XLogP3.71
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

Bradanicline
CID 25147644
5-(2-Morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((S)-3-methyl-1-{(S)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
CID 5287549
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
N-(2-chloropyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1945906
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (CID 24790220) is (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CCN(Cc4ncccc4C)CC3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is MEEKQABNPVEYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-6-7-20-18(13-15)17(3)21(27-20)22(26)25-11-9-24(10-12-25)14-19-16(2)5-4-8-23-19/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
(3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24790220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).