(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone

C31H35N5O — CID 42277931

IUPAC(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC([C@@H](Cc4ccccc4)N(C)Cc4cccnc4)CC3)cc2nc1C
InChIInChI=1S/C31H35N5O/c1-22-23(2)34-29-19-27(11-12-28(29)33-22)31(37)36-16-13-26(14-17-36)30(18-24-8-5-4-6-9-24)35(3)21-25-10-7-15-32-20-25/h4-12,15,19-20,26,30H,13-14,16-18,21H2,1-3H3/t30-/m1/s1
InChIKeyGZXBETCXSSBUNK-SSEXGKCCSA-N
MW493.66 g/mol
LogP5.24
Rot. Bonds7

About (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone (PubChem CID 42277931) has the molecular formula C31H35N5O and a molecular weight of 493.66 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
PubChem CID42277931
Molecular FormulaC31H35N5O
Molecular Weight493.66 g/mol
Exact Mass493.28
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC([C@@H](Cc4ccccc4)N(C)Cc4cccnc4)CC3)cc2nc1C
InChIInChI=1S/C31H35N5O/c1-22-23(2)34-29-19-27(11-12-28(29)33-22)31(37)36-16-13-26(14-17-36)30(18-24-8-5-4-6-9-24)35(3)21-25-10-7-15-32-20-25/h4-12,15,19-20,26,30H,13-14,16-18,21H2,1-3H3/t30-/m1/s1
InChIKeyGZXBETCXSSBUNK-SSEXGKCCSA-N
XLogP5.24
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 26402942
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
2-(2-chlorophenoxy)-1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]ethanone
CID 42407046
1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 45203432
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 45183893
1-benzofuran-2-yl-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 118757257
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719
6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 45226926
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone (CID 42277931) is (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCC([C@@H](Cc4ccccc4)N(C)Cc4cccnc4)CC3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
The InChIKey is GZXBETCXSSBUNK-SSEXGKCCSA-N. The full InChI is InChI=1S/C31H35N5O/c1-22-23(2)34-29-19-27(11-12-28(29)33-22)31(37)36-16-13-26(14-17-36)30(18-24-8-5-4-6-9-24)35(3)21-25-10-7-15-32-20-25/h4-12,15,19-20,26,30H,13-14,16-18,21H2,1-3H3/t30-/m1/s1.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone has a molecular weight of 493.66 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42277931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).