(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C20H22N4O — CID 125002217

IUPAC(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1
InChIInChI=1S/C20H22N4O/c1-14-10-21-11-18(22-14)15-6-5-9-24(12-15)20(25)17-13-23(2)19-8-4-3-7-16(17)19/h3-4,7-8,10-11,13,15H,5-6,9,12H2,1-2H3/t15-/m1/s1
InChIKeySITNOHVPGDHBDO-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds2

About (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 125002217) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID125002217
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1
InChIInChI=1S/C20H22N4O/c1-14-10-21-11-18(22-14)15-6-5-9-24(12-15)20(25)17-13-23(2)19-8-4-3-7-16(17)19/h3-4,7-8,10-11,13,15H,5-6,9,12H2,1-2H3/t15-/m1/s1
InChIKeySITNOHVPGDHBDO-OAHLLOKOSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 125002217) is (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1.
What is the InChIKey of (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SITNOHVPGDHBDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-10-21-11-18(22-14)15-6-5-9-24(12-15)20(25)17-13-23(2)19-8-4-3-7-16(17)19/h3-4,7-8,10-11,13,15H,5-6,9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125002217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).