4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

C26H27N5 — CID 177366099

IUPAC4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESc1ccc(CC2CCN(c3ccncc3NCc3ccc4nccnc4c3)CC2)cc1
InChIInChI=1S/C26H27N5/c1-2-4-20(5-3-1)16-21-9-14-31(15-10-21)26-8-11-27-19-25(26)30-18-22-6-7-23-24(17-22)29-13-12-28-23/h1-8,11-13,17,19,21,30H,9-10,14-16,18H2
InChIKeyLVOGXFGYISAZQF-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.10
Rot. Bonds6

About 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (PubChem CID 177366099) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
PubChem CID177366099
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESc1ccc(CC2CCN(c3ccncc3NCc3ccc4nccnc4c3)CC2)cc1
InChIInChI=1S/C26H27N5/c1-2-4-20(5-3-1)16-21-9-14-31(15-10-21)26-8-11-27-19-25(26)30-18-22-6-7-23-24(17-22)29-13-12-28-23/h1-8,11-13,17,19,21,30H,9-10,14-16,18H2
InChIKeyLVOGXFGYISAZQF-UHFFFAOYSA-N
XLogP5.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561546
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 28818263
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037
2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42663025

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (CID 177366099) is 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is c1ccc(CC2CCN(c3ccncc3NCc3ccc4nccnc4c3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The InChIKey is LVOGXFGYISAZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-2-4-20(5-3-1)16-21-9-14-31(15-10-21)26-8-11-27-19-25(26)30-18-22-6-7-23-24(17-22)29-13-12-28-23/h1-8,11-13,17,19,21,30H,9-10,14-16,18H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine has a molecular weight of 409.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 177366099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).