2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

C20H22N2O3 — CID 111332091

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(O)CC2)cc1)N1CCOc2ccccc21
InChIInChI=1S/C20H22N2O3/c23-17-9-11-21(12-10-17)16-7-5-15(6-8-16)20(24)22-13-14-25-19-4-2-1-3-18(19)22/h1-8,17,23H,9-14H2
InChIKeyUMJIBEDIOLBNAO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.69
Rot. Bonds2

About 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (PubChem CID 111332091) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
PubChem CID111332091
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(O)CC2)cc1)N1CCOc2ccccc21
InChIInChI=1S/C20H22N2O3/c23-17-9-11-21(12-10-17)16-7-5-15(6-8-16)20(24)22-13-14-25-19-4-2-1-3-18(19)22/h1-8,17,23H,9-14H2
InChIKeyUMJIBEDIOLBNAO-UHFFFAOYSA-N
XLogP2.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]cyclopropanecarboxamide
CID 31921302
5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyridine-2-carboxylic acid
CID 117213074
(6-bromo-3-pyridinyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 66464478
N-[[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]methyl]acetamide
CID 43071892
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide
CID 100785328
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]-N-methylethanesulfonamide
CID 100785453
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
CID 46299935
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 43062745
2,3-dihydro-1,4-benzoxazin-4-yl-(4-hydroxy-3-nitrophenyl)methanone
CID 11580279
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111520398
(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11702809

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (CID 111332091) is 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is O=C(c1ccc(N2CCC(O)CC2)cc1)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The InChIKey is UMJIBEDIOLBNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-17-9-11-21(12-10-17)16-7-5-15(6-8-16)20(24)22-13-14-25-19-4-2-1-3-18(19)22/h1-8,17,23H,9-14H2.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is sourced from PubChem (CID 111332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).