[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C22H28N2O4 — CID 47004132

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC(C)O1
InChIInChI=1S/C22H28N2O4/c1-13-11-24(12-14(2)27-13)21(25)15(3)28-22(26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)23-20/h8-10,13-15,23H,4-7,11-12H2,1-3H3
InChIKeyJWILJRJRMLVKRY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.23
Rot. Bonds3

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 47004132) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID47004132
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC(C)O1
InChIInChI=1S/C22H28N2O4/c1-13-11-24(12-14(2)27-13)21(25)15(3)28-22(26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)23-20/h8-10,13-15,23H,4-7,11-12H2,1-3H3
InChIKeyJWILJRJRMLVKRY-UHFFFAOYSA-N
XLogP3.23
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate with MolForge

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4794097
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
[(2S)-1-amino-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404453
[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 41247140
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-(dimethylamino)-3-fluorobenzoate
CID 97024014
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508626
4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride
CID 24836627
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2449280
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 98700469
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 55308407

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 47004132) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CC1CN(C(=O)C(C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is JWILJRJRMLVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13-11-24(12-14(2)27-13)21(25)15(3)28-22(26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)23-20/h8-10,13-15,23H,4-7,11-12H2,1-3H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 47004132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).