1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide

C19H23N3O3 — CID 136567884

IUPAC1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide
SMILESCC1(C2CC2)COCCN1C(=O)Cn1cc(C(N)=O)c2ccccc21
InChIInChI=1S/C19H23N3O3/c1-19(13-6-7-13)12-25-9-8-22(19)17(23)11-21-10-15(18(20)24)14-4-2-3-5-16(14)21/h2-5,10,13H,6-9,11-12H2,1H3,(H2,20,24)
InChIKeyZKTOBDUZPUGRFE-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.77
Rot. Bonds4

About 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide

1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide (PubChem CID 136567884) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide
PubChem CID136567884
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide
SMILESCC1(C2CC2)COCCN1C(=O)Cn1cc(C(N)=O)c2ccccc21
InChIInChI=1S/C19H23N3O3/c1-19(13-6-7-13)12-25-9-8-22(19)17(23)11-21-10-15(18(20)24)14-4-2-3-5-16(14)21/h2-5,10,13H,6-9,11-12H2,1H3,(H2,20,24)
InChIKeyZKTOBDUZPUGRFE-UHFFFAOYSA-N
XLogP1.77
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 56878336
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
CID 56880926
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47059443
1-[1-[2-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]indol-3-yl]butan-1-one
CID 154811502
1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47061374
1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4067931
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
1-[2-[methyl-(2-phenylcyclohexyl)amino]-2-oxoethyl]indole-3-carboxamide
CID 154850178
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 41106127
N-[(1R,2R)-2-methylcyclohexyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162355
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide (CID 136567884) is 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide is CC1(C2CC2)COCCN1C(=O)Cn1cc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide?
The InChIKey is ZKTOBDUZPUGRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(13-6-7-13)12-25-9-8-22(19)17(23)11-21-10-15(18(20)24)14-4-2-3-5-16(14)21/h2-5,10,13H,6-9,11-12H2,1H3,(H2,20,24).
What are the key properties of 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide?
1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 136567884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).