[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone

C21H21NO2 — CID 175746087

IUPAC[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1ccc2c(C3CCN(C(=O)c4ccccc4)CC3)coc2c1
InChIInChI=1S/C21H21NO2/c1-15-7-8-18-19(14-24-20(18)13-15)16-9-11-22(12-10-16)21(23)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3
InChIKeyJIWQLEHDQFXSCC-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.76
Rot. Bonds2

About [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone

[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 175746087) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone
PubChem CID175746087
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1ccc2c(C3CCN(C(=O)c4ccccc4)CC3)coc2c1
InChIInChI=1S/C21H21NO2/c1-15-7-8-18-19(14-24-20(18)13-15)16-9-11-22(12-10-16)21(23)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3
InChIKeyJIWQLEHDQFXSCC-UHFFFAOYSA-N
XLogP4.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone
CID 175746096
4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
CID 21105470
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494835
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone
CID 67117372
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-methylphenyl)-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]methanone
CID 90631136
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
4-(4-benzoylpiperazin-1-yl)-6-methylchromen-2-one
CID 44561935
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone (CID 175746087) is [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone is Cc1ccc2c(C3CCN(C(=O)c4ccccc4)CC3)coc2c1.
What is the InChIKey of [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is JIWQLEHDQFXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-7-8-18-19(14-24-20(18)13-15)16-9-11-22(12-10-16)21(23)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3.
What are the key properties of [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone?
[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 319.40 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 175746087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).