1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone

C24H33N5O — CID 143533060

IUPAC1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(C3CCN(c4cnccn4)CC3)CC2)C2=C1C=CCC2
InChIInChI=1S/C24H33N5O/c1-19(30)29-17-10-24(21-4-2-3-5-22(21)29)8-15-27(16-9-24)20-6-13-28(14-7-20)23-18-25-11-12-26-23/h3,5,11-12,18,20H,2,4,6-10,13-17H2,1H3
InChIKeyVONCMTKVQUKGBK-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.38
Rot. Bonds2

About 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone

1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone (PubChem CID 143533060) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone
PubChem CID143533060
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(C3CCN(c4cnccn4)CC3)CC2)C2=C1C=CCC2
InChIInChI=1S/C24H33N5O/c1-19(30)29-17-10-24(21-4-2-3-5-22(21)29)8-15-27(16-9-24)20-6-13-28(14-7-20)23-18-25-11-12-26-23/h3,5,11-12,18,20H,2,4,6-10,13-17H2,1H3
InChIKeyVONCMTKVQUKGBK-UHFFFAOYSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone (CID 143533060) is 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone is CC(=O)N1CCC2(CCN(C3CCN(c4cnccn4)CC3)CC2)C2=C1C=CCC2.
What is the InChIKey of 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone?
The InChIKey is VONCMTKVQUKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-19(30)29-17-10-24(21-4-2-3-5-22(21)29)8-15-27(16-9-24)20-6-13-28(14-7-20)23-18-25-11-12-26-23/h3,5,11-12,18,20H,2,4,6-10,13-17H2,1H3.
What are the key properties of 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone?
1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone has a molecular weight of 407.56 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 143533060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).