methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate

C21H22N2O3 — CID 59626440

IUPACmethyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(C3CCN(C(C)=O)CC3)c2c1
InChIInChI=1S/C21H22N2O3/c1-14(24)22-11-9-16(10-12-22)23-19-6-4-3-5-17(19)18-8-7-15(13-20(18)23)21(25)26-2/h3-8,13,16H,9-12H2,1-2H3
InChIKeyGWIKRFLIYAUHMH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.76
Rot. Bonds2

About methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate

methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate (PubChem CID 59626440) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
PubChem CID59626440
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namemethyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(C3CCN(C(C)=O)CC3)c2c1
InChIInChI=1S/C21H22N2O3/c1-14(24)22-11-9-16(10-12-22)23-19-6-4-3-5-17(19)18-8-7-15(13-20(18)23)21(25)26-2/h3-8,13,16H,9-12H2,1-2H3
InChIKeyGWIKRFLIYAUHMH-UHFFFAOYSA-N
XLogP3.76
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
CID 59626191
methyl 9-(oxan-4-yl)carbazole-3-carboxylate
CID 59626411
9-(4-hydroxycyclohexyl)carbazole-2-carboxylic acid
CID 24992779
methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
CID 59626225
methyl 9-thiophen-2-ylcarbazole-2-carboxylate
CID 59626526
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
methyl 2-(1-acetylpiperidin-4-yl)-3-phenyl-1-benzofuran-5-carboxylate
CID 142469806
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate
CID 11552259
methyl 2-bromo-1-cyclohexyl-3-methylindole-5-carboxylate
CID 58907401
methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate
CID 46081496

Frequently Asked Questions

What is the IUPAC name of methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate?
The IUPAC name of methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate (CID 59626440) is methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate.
What is the SMILES notation for methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate?
The canonical SMILES for methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate is COC(=O)c1ccc2c3ccccc3n(C3CCN(C(C)=O)CC3)c2c1.
What is the InChIKey of methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate?
The InChIKey is GWIKRFLIYAUHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(24)22-11-9-16(10-12-22)23-19-6-4-3-5-17(19)18-8-7-15(13-20(18)23)21(25)26-2/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate?
methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate is sourced from PubChem (CID 59626440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).