methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate

C29H30N2O2 — CID 71199702

IUPACmethyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CC1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21
InChIInChI=1S/C29H30N2O2/c1-33-28(32)17-21-18-29(25-8-4-2-6-22(21)25)12-14-31(15-13-29)19-20-10-11-27-24(16-20)23-7-3-5-9-26(23)30-27/h2-11,16,21,30H,12-15,17-19H2,1H3
InChIKeyWPCRALFWRSDCIV-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.91
Rot. Bonds4

About methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate

methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate (PubChem CID 71199702) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
PubChem CID71199702
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Namemethyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CC1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21
InChIInChI=1S/C29H30N2O2/c1-33-28(32)17-21-18-29(25-8-4-2-6-22(21)25)12-14-31(15-13-29)19-20-10-11-27-24(16-20)23-7-3-5-9-26(23)30-27/h2-11,16,21,30H,12-15,17-19H2,1H3
InChIKeyWPCRALFWRSDCIV-UHFFFAOYSA-N
XLogP5.91
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate (CID 71199702) is methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate is COC(=O)CC1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate?
The InChIKey is WPCRALFWRSDCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-33-28(32)17-21-18-29(25-8-4-2-6-22(21)25)12-14-31(15-13-29)19-20-10-11-27-24(16-20)23-7-3-5-9-26(23)30-27/h2-11,16,21,30H,12-15,17-19H2,1H3.
What are the key properties of methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate has a molecular weight of 438.57 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 71199702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).