4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine

C25H29N3O3 — CID 22274469

IUPACmorpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESC1CCN(CC1)CCC2=CC3=C(O2)C=CC(=C3)C4=NC=C(C=C4)C(=O)N5CCOCC5
InChIInChI=1S/C25H29N3O3/c29-25(28-12-14-30-15-13-28)20-4-6-23(26-18-20)19-5-7-24-21(16-19)17-22(31-24)8-11-27-9-2-1-3-10-27/h4-7,16-18H,1-3,8-15H2
InChIKeyXNUIRGHKJISNSI-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.20
Rot. Bonds5

About 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine

4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine (PubChem CID 22274469) has the molecular formula C25H29N3O3 and a molecular weight of 419.50 g/mol. Its IUPAC name is morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
PubChem CID22274469
Molecular FormulaC25H29N3O3
Molecular Weight419.50 g/mol
Exact Mass419.22
IUPAC Namemorpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESC1CCN(CC1)CCC2=CC3=C(O2)C=CC(=C3)C4=NC=C(C=C4)C(=O)N5CCOCC5
InChIInChI=1S/C25H29N3O3/c29-25(28-12-14-30-15-13-28)20-4-6-23(26-18-20)19-5-7-24-21(16-19)17-22(31-24)8-11-27-9-2-1-3-10-27/h4-7,16-18H,1-3,8-15H2
InChIKeyXNUIRGHKJISNSI-UHFFFAOYSA-N
XLogP3.20
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity591

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine?
The IUPAC name of 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine (CID 22274469) is morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone.
What is the SMILES notation for 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine?
The canonical SMILES for 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine is C1CCN(CC1)CCC2=CC3=C(O2)C=CC(=C3)C4=NC=C(C=C4)C(=O)N5CCOCC5.
What is the InChIKey of 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine?
The InChIKey is XNUIRGHKJISNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-25(28-12-14-30-15-13-28)20-4-6-23(26-18-20)19-5-7-24-21(16-19)17-22(31-24)8-11-27-9-2-1-3-10-27/h4-7,16-18H,1-3,8-15H2.
What are the key properties of 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine?
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine has a molecular weight of 419.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine is sourced from PubChem (CID 22274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).