[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H28N2O2 — CID 71989016

IUPAC[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(CCc2ccc3c(c2)CCO3)C1)N1CCCC1
InChIInChI=1S/C20H28N2O2/c23-20(22-10-1-2-11-22)18-4-3-9-21(15-18)12-7-16-5-6-19-17(14-16)8-13-24-19/h5-6,14,18H,1-4,7-13,15H2
InChIKeyUTDMTPDACLLNMC-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.50
Rot. Bonds4

About [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71989016) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID71989016
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(CCc2ccc3c(c2)CCO3)C1)N1CCCC1
InChIInChI=1S/C20H28N2O2/c23-20(22-10-1-2-11-22)18-4-3-9-21(15-18)12-7-16-5-6-19-17(14-16)8-13-24-19/h5-6,14,18H,1-4,7-13,15H2
InChIKeyUTDMTPDACLLNMC-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 71989016) is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(CCc2ccc3c(c2)CCO3)C1)N1CCCC1.
What is the InChIKey of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UTDMTPDACLLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(22-10-1-2-11-22)18-4-3-9-21(15-18)12-7-16-5-6-19-17(14-16)8-13-24-19/h5-6,14,18H,1-4,7-13,15H2.
What are the key properties of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 328.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71989016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).