3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole

C19H22N4 — CID 124970706

IUPAC3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
SMILESCc1cncc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C19H22N4/c1-14-10-20-12-19(22-14)15-6-8-23(9-7-15)13-16-11-21-18-5-3-2-4-17(16)18/h2-5,10-12,15,21H,6-9,13H2,1H3
InChIKeyJRVWZFBNFLYIGE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.65
Rot. Bonds3

About 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole

3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole (PubChem CID 124970706) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
PubChem CID124970706
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
SMILESCc1cncc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C19H22N4/c1-14-10-20-12-19(22-14)15-6-8-23(9-7-15)13-16-11-21-18-5-3-2-4-17(16)18/h2-5,10-12,15,21H,6-9,13H2,1H3
InChIKeyJRVWZFBNFLYIGE-UHFFFAOYSA-N
XLogP3.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
2-methyl-6-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrazine
CID 125019406
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
2-methyl-5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 118739889
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 125024963
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]-1,3-oxazole-5-sulfonamide
CID 155258209

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole (CID 124970706) is 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole is Cc1cncc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1.
What is the InChIKey of 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is JRVWZFBNFLYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-10-20-12-19(22-14)15-6-8-23(9-7-15)13-16-11-21-18-5-3-2-4-17(16)18/h2-5,10-12,15,21H,6-9,13H2,1H3.
What are the key properties of 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole?
3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 306.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 124970706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).