tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate

C23H27N3O3 — CID 140960025

IUPACtert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccccc2c2c(N3CCN(CC=O)CC3)cccc21
InChIInChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-18-8-5-4-7-17(18)21-19(9-6-10-20(21)26)25-13-11-24(12-14-25)15-16-27/h4-10,16H,11-15H2,1-3H3
InChIKeySAMAUDWOGCNCFJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate

tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate (PubChem CID 140960025) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate
PubChem CID140960025
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Nametert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccccc2c2c(N3CCN(CC=O)CC3)cccc21
InChIInChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-18-8-5-4-7-17(18)21-19(9-6-10-20(21)26)25-13-11-24(12-14-25)15-16-27/h4-10,16H,11-15H2,1-3H3
InChIKeySAMAUDWOGCNCFJ-UHFFFAOYSA-N
XLogP3.90
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate
CID 132516778
tert-butyl 4-[4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]carbazole-9-carboxylate
CID 140960037
tert-butyl 2,3-dichloroindole-1-carboxylate
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CID 162263594
2-[(dimethylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid
CID 176759620
7-O-tert-butyl 5-O-ethyl benzo[c]carbazole-5,7-dicarboxylate
CID 122233617
2-[9-(carboxymethyl)-6-(2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]acetic acid;ethane
CID 166074887
tert-butyl 2-bromo-3-carbamoylindole-1-carboxylate
CID 175318804
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
CID 133054826
tert-butyl 4-(3-formyl-1H-indol-4-yl)piperazine-1-carboxylate
CID 87356354
tert-butyl 2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enoxycarbonyloxyindol-3-yl]indole-1-carboxylate
CID 134947943

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate (CID 140960025) is tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate is CC(C)(C)OC(=O)n1c2ccccc2c2c(N3CCN(CC=O)CC3)cccc21.
What is the InChIKey of tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate?
The InChIKey is SAMAUDWOGCNCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-18-8-5-4-7-17(18)21-19(9-6-10-20(21)26)25-13-11-24(12-14-25)15-16-27/h4-10,16H,11-15H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate?
tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-oxoethyl)piperazin-1-yl]carbazole-9-carboxylate is sourced from PubChem (CID 140960025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).