2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone

C19H25N3O2 — CID 110197533

IUPAC2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
SMILESCCOCC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C19H25N3O2/c1-2-24-13-17(23)22-11-8-19(9-12-22)18-15(7-10-20-19)14-5-3-4-6-16(14)21-18/h3-6,20-21H,2,7-13H2,1H3
InChIKeyQSIMCSJQBURUQR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.17
Rot. Bonds3

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

2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone (PubChem CID 110197533) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
PubChem CID110197533
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
SMILESCCOCC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C19H25N3O2/c1-2-24-13-17(23)22-11-8-19(9-12-22)18-15(7-10-20-19)14-5-3-4-6-16(14)21-18/h3-6,20-21H,2,7-13H2,1H3
InChIKeyQSIMCSJQBURUQR-UHFFFAOYSA-N
XLogP2.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone (CID 110197533) is 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone is CCOCC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone?
The InChIKey is QSIMCSJQBURUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-24-13-17(23)22-11-8-19(9-12-22)18-15(7-10-20-19)14-5-3-4-6-16(14)21-18/h3-6,20-21H,2,7-13H2,1H3.
What are the key properties of 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone?
2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone has a molecular weight of 327.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 110197533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).