[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone

C16H21BrN2O2 — CID 125135358

IUPAC[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H21BrN2O2/c17-13-4-1-11(2-5-13)15-10-19(7-8-21-15)16(20)12-3-6-14(18)9-12/h1-2,4-5,12,14-15H,3,6-10,18H2/t12-,14-,15+/m1/s1
InChIKeyRMQKOFHYIWZKTM-YUELXQCFSA-N
MW353.26 g/mol
LogP2.48
Rot. Bonds2

About [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone

[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone (PubChem CID 125135358) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
PubChem CID125135358
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H21BrN2O2/c17-13-4-1-11(2-5-13)15-10-19(7-8-21-15)16(20)12-3-6-14(18)9-12/h1-2,4-5,12,14-15H,3,6-10,18H2/t12-,14-,15+/m1/s1
InChIKeyRMQKOFHYIWZKTM-YUELXQCFSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119769890
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone?
The IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone (CID 125135358) is [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone is N[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1.
What is the InChIKey of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone?
The InChIKey is RMQKOFHYIWZKTM-YUELXQCFSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c17-13-4-1-11(2-5-13)15-10-19(7-8-21-15)16(20)12-3-6-14(18)9-12/h1-2,4-5,12,14-15H,3,6-10,18H2/t12-,14-,15+/m1/s1.
What are the key properties of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone?
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone has a molecular weight of 353.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 125135358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).