2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone

C24H29NO3 — CID 55478981

IUPAC2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)C3Cc4ccccc4O3)CC2)cc1
InChIInChI=1S/C24H29NO3/c1-2-27-21-11-9-18(10-12-21)7-8-19-13-15-25(16-14-19)24(26)23-17-20-5-3-4-6-22(20)28-23/h3-6,9-12,19,23H,2,7-8,13-17H2,1H3
InChIKeyNQPVYBAXGFQOKI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.26
Rot. Bonds6

About 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone

2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 55478981) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID55478981
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)C3Cc4ccccc4O3)CC2)cc1
InChIInChI=1S/C24H29NO3/c1-2-27-21-11-9-18(10-12-21)7-8-19-13-15-25(16-14-19)24(26)23-17-20-5-3-4-6-22(20)28-23/h3-6,9-12,19,23H,2,7-8,13-17H2,1H3
InChIKeyNQPVYBAXGFQOKI-UHFFFAOYSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone (CID 55478981) is 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone is CCOc1ccc(CCC2CCN(C(=O)C3Cc4ccccc4O3)CC2)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is NQPVYBAXGFQOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-2-27-21-11-9-18(10-12-21)7-8-19-13-15-25(16-14-19)24(26)23-17-20-5-3-4-6-22(20)28-23/h3-6,9-12,19,23H,2,7-8,13-17H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 379.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 55478981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).