3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one

C20H22N4O — CID 155983427

IUPAC3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C20H22N4O/c25-20(6-5-16-13-23-18-4-2-1-3-17(16)18)24-11-7-15(8-12-24)19-14-21-9-10-22-19/h1-4,9-10,13-15,23H,5-8,11-12H2
InChIKeyXIPWLLZISASBAF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one

3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 155983427) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID155983427
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C20H22N4O/c25-20(6-5-16-13-23-18-4-2-1-3-17(16)18)24-11-7-15(8-12-24)19-14-21-9-10-22-19/h1-4,9-10,13-15,23H,5-8,11-12H2
InChIKeyXIPWLLZISASBAF-UHFFFAOYSA-N
XLogP3.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42362458
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 16670545
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one (CID 155983427) is 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC(c2cnccn2)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is XIPWLLZISASBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(6-5-16-13-23-18-4-2-1-3-17(16)18)24-11-7-15(8-12-24)19-14-21-9-10-22-19/h1-4,9-10,13-15,23H,5-8,11-12H2.
What are the key properties of 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one?
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 155983427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).