(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

C20H26N2O3 — CID 129491728

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cc2c1C
InChIInChI=1S/C20H26N2O3/c1-12-13(2)21-17-7-6-14(10-16(12)17)20(24)22-8-9-25-11-18(22)15-4-3-5-19(15)23/h6-7,10,15,18-19,21,23H,3-5,8-9,11H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyXIYXUNOWSMQBIR-KFKAGJAMSA-N
MW342.44 g/mol
LogP2.79
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (PubChem CID 129491728) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
PubChem CID129491728
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cc2c1C
InChIInChI=1S/C20H26N2O3/c1-12-13(2)21-17-7-6-14(10-16(12)17)20(24)22-8-9-25-11-18(22)15-4-3-5-19(15)23/h6-7,10,15,18-19,21,23H,3-5,8-9,11H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyXIYXUNOWSMQBIR-KFKAGJAMSA-N
XLogP2.79
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
(4-chloro-2,5-dimethylphenyl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486915
(4-chloro-2,5-dimethylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987904
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486470
(2-fluoro-5-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987910

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (CID 129491728) is (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is Cc1[nH]c2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The InChIKey is XIYXUNOWSMQBIR-KFKAGJAMSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12-13(2)21-17-7-6-14(10-16(12)17)20(24)22-8-9-25-11-18(22)15-4-3-5-19(15)23/h6-7,10,15,18-19,21,23H,3-5,8-9,11H2,1-2H3/t15-,18+,19+/m0/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is sourced from PubChem (CID 129491728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).