pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

C21H22N4O — CID 110197550

IUPACpyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C21H22N4O/c26-20(15-4-3-10-22-14-15)25-12-8-21(9-13-25)19-17(7-11-23-21)16-5-1-2-6-18(16)24-19/h1-6,10,14,23-24H,7-9,11-13H2
InChIKeyPZUORECITWMFEJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.84
Rot. Bonds1

About pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (PubChem CID 110197550) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
PubChem CID110197550
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Namepyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C21H22N4O/c26-20(15-4-3-10-22-14-15)25-12-8-21(9-13-25)19-17(7-11-23-21)16-5-1-2-6-18(16)24-19/h1-6,10,14,23-24H,7-9,11-13H2
InChIKeyPZUORECITWMFEJ-UHFFFAOYSA-N
XLogP2.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (CID 110197550) is pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is O=C(c1cccnc1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is PZUORECITWMFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-20(15-4-3-10-22-14-15)25-12-8-21(9-13-25)19-17(7-11-23-21)16-5-1-2-6-18(16)24-19/h1-6,10,14,23-24H,7-9,11-13H2.
What are the key properties of pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 110197550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).