[3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone

C21H23N5O — CID 135300407

IUPAC[3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C21H23N5O/c1-25(2)20-9-7-16(13-23-20)19-14-22-17-8-6-15(12-18(17)24-19)21(27)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyZLILJPNLNPNCKD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.38
Rot. Bonds3

About [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300407) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300407
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C21H23N5O/c1-25(2)20-9-7-16(13-23-20)19-14-22-17-8-6-15(12-18(17)24-19)21(27)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyZLILJPNLNPNCKD-UHFFFAOYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300407) is [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone is CN(C)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is ZLILJPNLNPNCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(2)20-9-7-16(13-23-20)19-14-22-17-8-6-15(12-18(17)24-19)21(27)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3.
What are the key properties of [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).