2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline

C20H26N8 — CID 167871743

IUPAC2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(Cc4ncn[nH]4)CC3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C20H26N8/c1-4-8-27(9-5-1)19-20(24-17-7-3-2-6-16(17)23-19)28-12-10-26(11-13-28)14-18-21-15-22-25-18/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,22,25)
InChIKeyIZRYMALZMQLFGB-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.06
Rot. Bonds4

About 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline

2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline (PubChem CID 167871743) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline
PubChem CID167871743
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(Cc4ncn[nH]4)CC3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C20H26N8/c1-4-8-27(9-5-1)19-20(24-17-7-3-2-6-16(17)23-19)28-12-10-26(11-13-28)14-18-21-15-22-25-18/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,22,25)
InChIKeyIZRYMALZMQLFGB-UHFFFAOYSA-N
XLogP2.06
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline with MolForge

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Related Compounds

quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
4-[[4-(3-methylquinoxalin-2-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 133276196
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108773538
6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247518
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
(3-piperidin-1-ylquinoxalin-2-yl)hydrazine
CID 51345740
2-piperidin-1-yl-3-(trifluoromethyl)quinoxaline
CID 4992006
4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106193154
2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 166601916
[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 125156626
4-(azepan-1-yl)quinazoline
CID 5207391

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline (CID 167871743) is 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline is c1ccc2nc(N3CCN(Cc4ncn[nH]4)CC3)c(N3CCCCC3)nc2c1.
What is the InChIKey of 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline?
The InChIKey is IZRYMALZMQLFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-4-8-27(9-5-1)19-20(24-17-7-3-2-6-16(17)23-19)28-12-10-26(11-13-28)14-18-21-15-22-25-18/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,22,25).
What are the key properties of 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline?
2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline has a molecular weight of 378.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 167871743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).