2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C22H28N2O4 — CID 51152741

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1cc2occ(CC(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2cc1C
InChIInChI=1S/C22H28N2O4/c1-15-11-19-18(14-28-20(19)12-16(15)2)13-21(25)23-5-3-17(4-6-23)22(26)24-7-9-27-10-8-24/h11-12,14,17H,3-10,13H2,1-2H3
InChIKeyCZTHKADWBFEEOH-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.69
Rot. Bonds3

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 51152741) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID51152741
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1cc2occ(CC(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2cc1C
InChIInChI=1S/C22H28N2O4/c1-15-11-19-18(14-28-20(19)12-16(15)2)13-21(25)23-5-3-17(4-6-23)22(26)24-7-9-27-10-8-24/h11-12,14,17H,3-10,13H2,1-2H3
InChIKeyCZTHKADWBFEEOH-UHFFFAOYSA-N
XLogP2.69
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 55566568
N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
CID 55813157
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55339010
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119576743
1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 60607197
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
CID 137339572
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32863739
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
1-[(3aS,6aS)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)ethanone
CID 136587791
N-(2-aminoethyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119479666

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 51152741) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is Cc1cc2occ(CC(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is CZTHKADWBFEEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-11-19-18(14-28-20(19)12-16(15)2)13-21(25)23-5-3-17(4-6-23)22(26)24-7-9-27-10-8-24/h11-12,14,17H,3-10,13H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 384.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 51152741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).