2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C25H26N2O5 — CID 40794760

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCOc1ccc2c(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)coc2c1
InChIInChI=1S/C25H26N2O5/c1-30-18-9-10-19-17(16-31-22(19)14-18)13-24(28)27-15-23(25(29)26-11-5-2-6-12-26)32-21-8-4-3-7-20(21)27/h3-4,7-10,14,16,23H,2,5-6,11-13,15H2,1H3/t23-/m1/s1
InChIKeyBZQIIKHSRGEYDP-HSZRJFAPSA-N
MW434.49 g/mol
LogP3.79
Rot. Bonds4

About 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 40794760) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID40794760
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCOc1ccc2c(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)coc2c1
InChIInChI=1S/C25H26N2O5/c1-30-18-9-10-19-17(16-31-22(19)14-18)13-24(28)27-15-23(25(29)26-11-5-2-6-12-26)32-21-8-4-3-7-20(21)27/h3-4,7-10,14,16,23H,2,5-6,11-13,15H2,1H3/t23-/m1/s1
InChIKeyBZQIIKHSRGEYDP-HSZRJFAPSA-N
XLogP3.79
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 27446738
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8945086
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506163
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
(2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101058
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 124611637
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
[(2S)-4-(3-fluoro-4-methoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8945061
(3R)-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7936928

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 40794760) is 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is COc1ccc2c(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is BZQIIKHSRGEYDP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-30-18-9-10-19-17(16-31-22(19)14-18)13-24(28)27-15-23(25(29)26-11-5-2-6-12-26)32-21-8-4-3-7-20(21)27/h3-4,7-10,14,16,23H,2,5-6,11-13,15H2,1H3/t23-/m1/s1.
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 434.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 40794760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).