2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone

C18H20N6O — CID 124958322

IUPAC2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1
InChIInChI=1S/C18H20N6O/c1-13-9-19-10-16(20-13)14-5-4-8-23(11-14)18(25)12-24-17-7-3-2-6-15(17)21-22-24/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3/t14-/m1/s1
InChIKeyGFJRRWFKVQWXRX-CQSZACIVSA-N
MW336.40 g/mol
LogP1.94
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone

2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 124958322) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID124958322
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1
InChIInChI=1S/C18H20N6O/c1-13-9-19-10-16(20-13)14-5-4-8-23(11-14)18(25)12-24-17-7-3-2-6-15(17)21-22-24/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3/t14-/m1/s1
InChIKeyGFJRRWFKVQWXRX-CQSZACIVSA-N
XLogP1.94
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995
6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92640653
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 127246140
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110102514
3-(benzotriazol-1-yl)-1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 124940441
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 166227750
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754
3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 124968339
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone (CID 124958322) is 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone is Cc1cncc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is GFJRRWFKVQWXRX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-9-19-10-16(20-13)14-5-4-8-23(11-14)18(25)12-24-17-7-3-2-6-15(17)21-22-24/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 336.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124958322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).