methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate

C21H28N2O3 — CID 57397328

IUPACmethyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1c(n2CCCN2CCOCC2)CCCC1
InChIInChI=1S/C21H28N2O3/c1-25-21(24)16-7-8-20-18(15-16)17-5-2-3-6-19(17)23(20)10-4-9-22-11-13-26-14-12-22/h7-8,15H,2-6,9-14H2,1H3
InChIKeyJJWRBMIPWWLSSY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.03
Rot. Bonds5

About methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate

methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate (PubChem CID 57397328) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
PubChem CID57397328
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Namemethyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1c(n2CCCN2CCOCC2)CCCC1
InChIInChI=1S/C21H28N2O3/c1-25-21(24)16-7-8-20-18(15-16)17-5-2-3-6-19(17)23(20)10-4-9-22-11-13-26-14-12-22/h7-8,15H,2-6,9-14H2,1H3
InChIKeyJJWRBMIPWWLSSY-UHFFFAOYSA-N
XLogP3.03
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate (CID 57397328) is methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate is COC(=O)c1ccc2c(c1)c1c(n2CCCN2CCOCC2)CCCC1.
What is the InChIKey of methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The InChIKey is JJWRBMIPWWLSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-21(24)16-7-8-20-18(15-16)17-5-2-3-6-19(17)23(20)10-4-9-22-11-13-26-14-12-22/h7-8,15H,2-6,9-14H2,1H3.
What are the key properties of methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 57397328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).