[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone

C17H22FN3O2 — CID 42190289

IUPAC[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESCN(C)CC[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1
InChIInChI=1S/C17H22FN3O2/c1-20(2)6-5-14-11-21(7-8-23-14)17(22)16-10-12-9-13(18)3-4-15(12)19-16/h3-4,9-10,14,19H,5-8,11H2,1-2H3/t14-/m0/s1
InChIKeyLSHSTGGGVXOBKB-AWEZNQCLSA-N
MW319.38 g/mol
LogP2.10
Rot. Bonds4

About [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone

[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 42190289) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID42190289
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESCN(C)CC[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1
InChIInChI=1S/C17H22FN3O2/c1-20(2)6-5-14-11-21(7-8-23-14)17(22)16-10-12-9-13(18)3-4-15(12)19-16/h3-4,9-10,14,19H,5-8,11H2,1-2H3/t14-/m0/s1
InChIKeyLSHSTGGGVXOBKB-AWEZNQCLSA-N
XLogP2.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 45173722
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086127
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 45235539
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 56886344
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124695833
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 42190289) is [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone is CN(C)CC[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1.
What is the InChIKey of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is LSHSTGGGVXOBKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-20(2)6-5-14-11-21(7-8-23-14)17(22)16-10-12-9-13(18)3-4-15(12)19-16/h3-4,9-10,14,19H,5-8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone?
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 319.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 42190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).