[6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C26H31N3O3 — CID 22274462

IUPAC[6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cn4)ccc3o2)CC1
InChIInChI=1S/C26H31N3O3/c1-19-6-9-28(10-7-19)11-8-23-17-22-16-20(3-5-25(22)32-23)24-4-2-21(18-27-24)26(30)29-12-14-31-15-13-29/h2-5,16-19H,6-15H2,1H3
InChIKeyWICYEJWLHJNDAV-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.24
Rot. Bonds5

About [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 22274462) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID22274462
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name[6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cn4)ccc3o2)CC1
InChIInChI=1S/C26H31N3O3/c1-19-6-9-28(10-7-19)11-8-23-17-22-16-20(3-5-25(22)32-23)24-4-2-21(18-27-24)26(30)29-12-14-31-15-13-29/h2-5,16-19H,6-15H2,1H3
InChIKeyWICYEJWLHJNDAV-UHFFFAOYSA-N
XLogP4.24
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 22274462) is [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is CC1CCN(CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cn4)ccc3o2)CC1.
What is the InChIKey of [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is WICYEJWLHJNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19-6-9-28(10-7-19)11-8-23-17-22-16-20(3-5-25(22)32-23)24-4-2-21(18-27-24)26(30)29-12-14-31-15-13-29/h2-5,16-19H,6-15H2,1H3.
What are the key properties of [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 433.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22274462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).