3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone

C23H26N4O — CID 166246706

IUPAC3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CCn3c(cc4ccccc43)C2)CCN(c2ccncc2)CC1
InChIInChI=1S/C23H26N4O/c1-23(8-12-25(13-9-23)19-6-10-24-11-7-19)22(28)26-14-15-27-20(17-26)16-18-4-2-3-5-21(18)27/h2-7,10-11,16H,8-9,12-15,17H2,1H3
InChIKeyNBCRHYXBFPTNGX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.69
Rot. Bonds2

About 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone

3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 166246706) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID166246706
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CCn3c(cc4ccccc43)C2)CCN(c2ccncc2)CC1
InChIInChI=1S/C23H26N4O/c1-23(8-12-25(13-9-23)19-6-10-24-11-7-19)22(28)26-14-15-27-20(17-26)16-18-4-2-3-5-21(18)27/h2-7,10-11,16H,8-9,12-15,17H2,1H3
InChIKeyNBCRHYXBFPTNGX-UHFFFAOYSA-N
XLogP3.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

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CID 10179853
2,5,5-Trimethyl-3-{4-[4-(1-phenyl-1H-indol-3-yl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10528598
5,5-Dimethyl-3-{4-[4-(1-phenyl-1H-indol-3-yl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10695381

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone (CID 166246706) is 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone is CC1(C(=O)N2CCn3c(cc4ccccc43)C2)CCN(c2ccncc2)CC1.
What is the InChIKey of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is NBCRHYXBFPTNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(8-12-25(13-9-23)19-6-10-24-11-7-19)22(28)26-14-15-27-20(17-26)16-18-4-2-3-5-21(18)27/h2-7,10-11,16H,8-9,12-15,17H2,1H3.
What are the key properties of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone?
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 166246706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).