[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C19H19N5O — CID 159555657

IUPAC[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C19H19N5O/c1-13-20-10-15(11-21-13)18-12-22-16-6-5-14(9-17(16)23-18)19(25)24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyOQZBYKXFAHPHMY-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.02
Rot. Bonds2

About [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 159555657) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID159555657
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C19H19N5O/c1-13-20-10-15(11-21-13)18-12-22-16-6-5-14(9-17(16)23-18)19(25)24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyOQZBYKXFAHPHMY-UHFFFAOYSA-N
XLogP3.02
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
CID 135300348
[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 172583210
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
CID 171697921
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155
(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone
CID 172583079

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 159555657) is [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is Cc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is OQZBYKXFAHPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-20-10-15(11-21-13)18-12-22-16-6-5-14(9-17(16)23-18)19(25)24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 333.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).