(4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

C22H24N4O — CID 110197540

IUPAC(4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESCc1ccncc1C(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C22H24N4O/c1-15-6-10-23-14-18(15)21(27)26-12-8-22(9-13-26)20-17(7-11-24-22)16-4-2-3-5-19(16)25-20/h2-6,10,14,24-25H,7-9,11-13H2,1H3
InChIKeyCJXGDOSWCFUOHZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.15
Rot. Bonds1

About (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

(4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (PubChem CID 110197540) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
PubChem CID110197540
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESCc1ccncc1C(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C22H24N4O/c1-15-6-10-23-14-18(15)21(27)26-12-8-22(9-13-26)20-17(7-11-24-22)16-4-2-3-5-19(16)25-20/h2-6,10,14,24-25H,7-9,11-13H2,1H3
InChIKeyCJXGDOSWCFUOHZ-UHFFFAOYSA-N
XLogP3.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (CID 110197540) is (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is Cc1ccncc1C(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is CJXGDOSWCFUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-6-10-23-14-18(15)21(27)26-12-8-22(9-13-26)20-17(7-11-24-22)16-4-2-3-5-19(16)25-20/h2-6,10,14,24-25H,7-9,11-13H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
(4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 110197540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).