ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate

C18H23N3O2 — CID 2810279

IUPACethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-2-23-17(22)21-11-8-18(9-12-21)16-14(7-10-19-18)13-5-3-4-6-15(13)20-16/h3-6,19-20H,2,7-12H2,1H3
InChIKeyCMAUUISAJJXRBD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds1

About ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate

ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate (PubChem CID 2810279) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate
PubChem CID2810279
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-2-23-17(22)21-11-8-18(9-12-21)16-14(7-10-19-18)13-5-3-4-6-15(13)20-16/h3-6,19-20H,2,7-12H2,1H3
InChIKeyCMAUUISAJJXRBD-UHFFFAOYSA-N
XLogP2.76
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate (CID 2810279) is ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate?
The InChIKey is CMAUUISAJJXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-17(22)21-11-8-18(9-12-21)16-14(7-10-19-18)13-5-3-4-6-15(13)20-16/h3-6,19-20H,2,7-12H2,1H3.
What are the key properties of ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate?
ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 2810279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).