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

C22H30N4O — CID 110667059

IUPAC[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCC(N4CCCCCC4)CC3)cc2nc1C
InChIInChI=1S/C22H30N4O/c1-16-17(2)24-21-15-18(7-8-20(21)23-16)22(27)26-13-9-19(10-14-26)25-11-5-3-4-6-12-25/h7-8,15,19H,3-6,9-14H2,1-2H3
InChIKeyDIRYSIPHZQAQDJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.73
Rot. Bonds2

About [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 110667059) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID110667059
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCC(N4CCCCCC4)CC3)cc2nc1C
InChIInChI=1S/C22H30N4O/c1-16-17(2)24-21-15-18(7-8-20(21)23-16)22(27)26-13-9-19(10-14-26)25-11-5-3-4-6-12-25/h7-8,15,19H,3-6,9-14H2,1-2H3
InChIKeyDIRYSIPHZQAQDJ-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone with MolForge

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Related Compounds

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 18714275
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (CID 110667059) is [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is Cc1nc2ccc(C(=O)N3CCC(N4CCCCCC4)CC3)cc2nc1C.
What is the InChIKey of [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is DIRYSIPHZQAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-17(2)24-21-15-18(7-8-20(21)23-16)22(27)26-13-9-19(10-14-26)25-11-5-3-4-6-12-25/h7-8,15,19H,3-6,9-14H2,1-2H3.
What are the key properties of [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 366.51 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 110667059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).