3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one

C19H22N4O2 — CID 47006849

IUPAC3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H22N4O2/c1-13-17-14(5-4-6-15(17)24)21-18(13)19(25)23-11-9-22(10-12-23)16-7-2-3-8-20-16/h2-3,7-8,21H,4-6,9-12H2,1H3
InChIKeyJSCAHXWSGCWAQW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.20
Rot. Bonds2

About 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one

3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 47006849) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID47006849
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H22N4O2/c1-13-17-14(5-4-6-15(17)24)21-18(13)19(25)23-11-9-22(10-12-23)16-7-2-3-8-20-16/h2-3,7-8,21H,4-6,9-12H2,1H3
InChIKeyJSCAHXWSGCWAQW-UHFFFAOYSA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 34740755
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134006212
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 51054862
3-methyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24545327
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 51292516
3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47065917
2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 35814605
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 163309176
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814034
3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 10760677

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one (CID 47006849) is 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is JSCAHXWSGCWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-17-14(5-4-6-15(17)24)21-18(13)19(25)23-11-9-22(10-12-23)16-7-2-3-8-20-16/h2-3,7-8,21H,4-6,9-12H2,1H3.
What are the key properties of 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one?
3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 338.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 47006849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).