1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone

C24H27NO2 — CID 18860504

IUPAC1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
SMILESCCc1ccc2occ(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H27NO2/c1-2-18-8-9-23-22(15-18)21(17-27-23)16-24(26)25-12-10-20(11-13-25)14-19-6-4-3-5-7-19/h3-9,15,17,20H,2,10-14,16H2,1H3
InChIKeyLECVRXQKCZYGLI-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.02
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone (PubChem CID 18860504) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
PubChem CID18860504
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
SMILESCCc1ccc2occ(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H27NO2/c1-2-18-8-9-23-22(15-18)21(17-27-23)16-24(26)25-12-10-20(11-13-25)14-19-6-4-3-5-7-19/h3-9,15,17,20H,2,10-14,16H2,1H3
InChIKeyLECVRXQKCZYGLI-UHFFFAOYSA-N
XLogP5.02
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(5-chloro-1-benzofuran-3-yl)ethanone
CID 18860355
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415393
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone
CID 110488719
1-(4-benzylpiperazin-1-yl)-2-(5-bromo-1-benzofuran-3-yl)ethanone
CID 18860427
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8741057
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone (CID 18860504) is 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone is CCc1ccc2occ(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone?
The InChIKey is LECVRXQKCZYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-18-8-9-23-22(15-18)21(17-27-23)16-24(26)25-12-10-20(11-13-25)14-19-6-4-3-5-7-19/h3-9,15,17,20H,2,10-14,16H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone has a molecular weight of 361.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 18860504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).