[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C20H28N2O3 — CID 25279092

IUPAC[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C2(C(=O)N3CC[C@H](O)C3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H28N2O3/c1-14-11-22(12-15(2)25-14)20(19(24)21-8-7-18(23)13-21)9-16-5-3-4-6-17(16)10-20/h3-6,14-15,18,23H,7-13H2,1-2H3/t14-,15+,18-/m0/s1
InChIKeyIKXUPQWQTLATEZ-DAYGRLMNSA-N
MW344.46 g/mol
LogP1.23
Rot. Bonds2

About [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 25279092) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID25279092
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C2(C(=O)N3CC[C@H](O)C3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H28N2O3/c1-14-11-22(12-15(2)25-14)20(19(24)21-8-7-18(23)13-21)9-16-5-3-4-6-17(16)10-20/h3-6,14-15,18,23H,7-13H2,1-2H3/t14-,15+,18-/m0/s1
InChIKeyIKXUPQWQTLATEZ-DAYGRLMNSA-N
XLogP1.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2R*,6S*)-2,6-dimethyl-4-{[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]carbonyl}morpholine
CID 26398421
(2R*,6S*)-2,6-dimethyl-4-[2-(4-thiomorpholinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
CID 28311899
1-({2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)azepane
CID 28392187
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 42211217
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 53621209
2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N,N-dimethyl-2-indanecarboxamide
CID 56886738
N-(3-hydroxypropyl)-2-(1-piperidinyl)-2-indanecarboxamide
CID 56899775
(2R*,6S*)-2,6-dimethyl-4-[2-(1-piperazinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
CID 56905390
(2R*,6S*)-2,6-dimethyl-4-[2-(4-morpholinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
CID 56906924
1-[(3R,4R)-3-Hydroxy-4-(morpholin-4-YL)pyrrolidin-1-YL]-2-(2-methylphenyl)ethanone
CID 110108268
1-[(3R,4R)-3-Hydroxy-4-(4-methylpiperazin-1-YL)pyrrolidin-1-YL]-2-(2-methylphenyl)ethanone
CID 110108399
1-[(3R,4R)-3-(4-Acetylpiperazin-1-YL)-4-hydroxypyrrolidin-1-YL]-2-(2-methylphenyl)ethanone
CID 110108561

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 25279092) is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is C[C@@H]1CN(C2(C(=O)N3CC[C@H](O)C3)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is IKXUPQWQTLATEZ-DAYGRLMNSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-11-22(12-15(2)25-14)20(19(24)21-8-7-18(23)13-21)9-16-5-3-4-6-17(16)10-20/h3-6,14-15,18,23H,7-13H2,1-2H3/t14-,15+,18-/m0/s1.
What are the key properties of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 25279092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).