[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone

C17H23BrN2O3 — CID 119757095

IUPAC[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCOC(c3cccc(Br)c3)C2)CCNCC1
InChIInChI=1S/C17H23BrN2O3/c1-22-17(5-7-19-8-6-17)16(21)20-9-10-23-15(12-20)13-3-2-4-14(18)11-13/h2-4,11,15,19H,5-10,12H2,1H3
InChIKeyWEYFEKNATDUCRN-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.12
Rot. Bonds3

About [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone

[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone (PubChem CID 119757095) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
PubChem CID119757095
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCOC(c3cccc(Br)c3)C2)CCNCC1
InChIInChI=1S/C17H23BrN2O3/c1-22-17(5-7-19-8-6-17)16(21)20-9-10-23-15(12-20)13-3-2-4-14(18)11-13/h2-4,11,15,19H,5-10,12H2,1H3
InChIKeyWEYFEKNATDUCRN-UHFFFAOYSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119725542
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417
[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119757100
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
[2-(4-fluorophenyl)morpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120615830
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 122139221

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone (CID 119757095) is [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)N2CCOC(c3cccc(Br)c3)C2)CCNCC1.
What is the InChIKey of [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is WEYFEKNATDUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-22-17(5-7-19-8-6-17)16(21)20-9-10-23-15(12-20)13-3-2-4-14(18)11-13/h2-4,11,15,19H,5-10,12H2,1H3.
What are the key properties of [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone?
[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 383.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 119757095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).