(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide

C17H22FN3O2 — CID 95839618

IUPAC(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(Cc2[nH]c3ccc(F)cc3c2C)CCO1
InChIInChI=1S/C17H22FN3O2/c1-11-13-8-12(18)4-5-14(13)20-15(11)9-21-6-7-23-17(2,10-21)16(22)19-3/h4-5,8,20H,6-7,9-10H2,1-3H3,(H,19,22)/t17-/m0/s1
InChIKeyFRQOZGJSLWFFKN-KRWDZBQOSA-N
MW319.38 g/mol
LogP1.95
Rot. Bonds3

About (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide

(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 95839618) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID95839618
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(Cc2[nH]c3ccc(F)cc3c2C)CCO1
InChIInChI=1S/C17H22FN3O2/c1-11-13-8-12(18)4-5-14(13)20-15(11)9-21-6-7-23-17(2,10-21)16(22)19-3/h4-5,8,20H,6-7,9-10H2,1-3H3,(H,19,22)/t17-/m0/s1
InChIKeyFRQOZGJSLWFFKN-KRWDZBQOSA-N
XLogP1.95
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
4-[(5-methoxy-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 127247721
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 46967079
(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124951417
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 16673537
N-[(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133048
N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 110253457
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124961811
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
CID 95839825
(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
CID 25385611

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide (CID 95839618) is (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(Cc2[nH]c3ccc(F)cc3c2C)CCO1.
What is the InChIKey of (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is FRQOZGJSLWFFKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11-13-8-12(18)4-5-14(13)20-15(11)9-21-6-7-23-17(2,10-21)16(22)19-3/h4-5,8,20H,6-7,9-10H2,1-3H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 95839618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).