2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone

C24H27NO3 — CID 113096148

IUPAC2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3c4c(cc5c3OCC5)OCC4)CC2)cc1
InChIInChI=1S/C24H27NO3/c1-16-2-4-17(5-3-16)14-22(26)25-10-6-18(7-11-25)23-20-9-13-27-21(20)15-19-8-12-28-24(19)23/h2-5,15,18H,6-14H2,1H3
InChIKeyLAQHJMZSMABNQE-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone (PubChem CID 113096148) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone
PubChem CID113096148
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3c4c(cc5c3OCC5)OCC4)CC2)cc1
InChIInChI=1S/C24H27NO3/c1-16-2-4-17(5-3-16)14-22(26)25-10-6-18(7-11-25)23-20-9-13-27-21(20)15-19-8-12-28-24(19)23/h2-5,15,18H,6-14H2,1H3
InChIKeyLAQHJMZSMABNQE-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one
CID 113096108
[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113096117
(3-fluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096123
(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096138
4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclohexan-1-ol
CID 116986304
1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 113096169
1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 113096170
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 46663861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
1-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone (CID 113096148) is 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC(c3c4c(cc5c3OCC5)OCC4)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone?
The InChIKey is LAQHJMZSMABNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16-2-4-17(5-3-16)14-22(26)25-10-6-18(7-11-25)23-20-9-13-27-21(20)15-19-8-12-28-24(19)23/h2-5,15,18H,6-14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone has a molecular weight of 377.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113096148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).