(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C15H19N3O2 — CID 63117029

IUPAC(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c[nH]c3ccc(N)cc23)C(C)CO1
InChIInChI=1S/C15H19N3O2/c1-9-8-20-10(2)7-18(9)15(19)13-6-17-14-4-3-11(16)5-12(13)14/h3-6,9-10,17H,7-8,16H2,1-2H3
InChIKeyWWWWZYQIRSSSMY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.00
Rot. Bonds1

About (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 63117029) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID63117029
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c[nH]c3ccc(N)cc23)C(C)CO1
InChIInChI=1S/C15H19N3O2/c1-9-8-20-10(2)7-18(9)15(19)13-6-17-14-4-3-11(16)5-12(13)14/h3-6,9-10,17H,7-8,16H2,1-2H3
InChIKeyWWWWZYQIRSSSMY-UHFFFAOYSA-N
XLogP2.00
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095416
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63116358
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
5-amino-1H-indole-3-carboxylate
CID 36690512
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 63117029) is (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2c[nH]c3ccc(N)cc23)C(C)CO1.
What is the InChIKey of (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is WWWWZYQIRSSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-8-20-10(2)7-18(9)15(19)13-6-17-14-4-3-11(16)5-12(13)14/h3-6,9-10,17H,7-8,16H2,1-2H3.
What are the key properties of (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 63117029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).