morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone

C25H29N3O3 — CID 22274469

IUPACmorpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)nc1)N1CCOCC1
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
MW419.53 g/mol
LogP4.00
Rot. Bonds5

About morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone

morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone (PubChem CID 22274469) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 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 Namemorpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
PubChem CID22274469
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Namemorpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)nc1)N1CCOCC1
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
XLogP4.00
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone (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 morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone is O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
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 morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone has a molecular weight of 419.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 22274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).