(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C20H23N5O — CID 72840658

IUPAC(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(c4nccn4C)C3)cc2nc1C
InChIInChI=1S/C20H23N5O/c1-13-14(2)23-18-11-15(6-7-17(18)22-13)20(26)25-9-4-5-16(12-25)19-21-8-10-24(19)3/h6-8,10-11,16H,4-5,9,12H2,1-3H3
InChIKeyNXJUBIQJQHGEKU-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.00
Rot. Bonds2

About (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 72840658) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID72840658
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(c4nccn4C)C3)cc2nc1C
InChIInChI=1S/C20H23N5O/c1-13-14(2)23-18-11-15(6-7-17(18)22-13)20(26)25-9-4-5-16(12-25)19-21-8-10-24(19)3/h6-8,10-11,16H,4-5,9,12H2,1-3H3
InChIKeyNXJUBIQJQHGEKU-UHFFFAOYSA-N
XLogP3.00
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 136549756
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 72840658) is (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCCC(c4nccn4C)C3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NXJUBIQJQHGEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-14(2)23-18-11-15(6-7-17(18)22-13)20(26)25-9-4-5-16(12-25)19-21-8-10-24(19)3/h6-8,10-11,16H,4-5,9,12H2,1-3H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.00, 2 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)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72840658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).