methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate

C28H26N2O2 — CID 57400176

IUPACmethyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate
SMILESCOC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21
InChIInChI=1S/C28H26N2O2/c1-32-27(31)30-25-9-5-3-7-22(25)23-18-20(10-11-26(23)30)19-29-16-14-28(15-17-29)13-12-21-6-2-4-8-24(21)28/h2-13,18H,14-17,19H2,1H3
InChIKeyQXFJLUJBRLOYTD-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.97
Rot. Bonds2

About methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate

methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate (PubChem CID 57400176) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate.

Molecular Properties

Compound Namemethyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate
PubChem CID57400176
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Namemethyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate
SMILESCOC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21
InChIInChI=1S/C28H26N2O2/c1-32-27(31)30-25-9-5-3-7-22(25)23-18-20(10-11-26(23)30)19-29-16-14-28(15-17-29)13-12-21-6-2-4-8-24(21)28/h2-13,18H,14-17,19H2,1H3
InChIKeyQXFJLUJBRLOYTD-UHFFFAOYSA-N
XLogP5.97
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate?
The IUPAC name of methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate (CID 57400176) is methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate.
What is the SMILES notation for methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate?
The canonical SMILES for methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate is COC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21.
What is the InChIKey of methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate?
The InChIKey is QXFJLUJBRLOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-32-27(31)30-25-9-5-3-7-22(25)23-18-20(10-11-26(23)30)19-29-16-14-28(15-17-29)13-12-21-6-2-4-8-24(21)28/h2-13,18H,14-17,19H2,1H3.
What are the key properties of methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate?
methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate is sourced from PubChem (CID 57400176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).