2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone

C20H27BrN2O3 — CID 51942616

IUPAC2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1
InChIInChI=1S/C20H27BrN2O3/c1-14-12-23(13-15(2)26-14)20(25)17-7-9-22(10-8-17)19(24)11-16-3-5-18(21)6-4-16/h3-6,14-15,17H,7-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyHMUXHLMEQRIKIO-HUUCEWRRSA-N
MW423.35 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone

2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone (PubChem CID 51942616) has the molecular formula C20H27BrN2O3 and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
PubChem CID51942616
Molecular FormulaC20H27BrN2O3
Molecular Weight423.35 g/mol
Exact Mass422.12
IUPAC Name2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1
InChIInChI=1S/C20H27BrN2O3/c1-14-12-23(13-15(2)26-14)20(25)17-7-9-22(10-8-17)19(24)11-16-3-5-18(21)6-4-16/h3-6,14-15,17H,7-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyHMUXHLMEQRIKIO-HUUCEWRRSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 51942632
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 95277217
[1-(4-bromo-2-methylbenzoyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55850164
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 56896554
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
2-(4-aminophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119738132
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002779
3-anilino-1-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]propan-1-one
CID 52512933

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone (CID 51942616) is 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone is C[C@@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is HMUXHLMEQRIKIO-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H27BrN2O3/c1-14-12-23(13-15(2)26-14)20(25)17-7-9-22(10-8-17)19(24)11-16-3-5-18(21)6-4-16/h3-6,14-15,17H,7-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 423.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 51942616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).