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

C21H28N4O2 — CID 110304852

IUPAC(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC(CN4CCOCC4)CC3)cc2nc1C
InChIInChI=1S/C21H28N4O2/c1-15-16(2)23-20-13-18(3-4-19(20)22-15)21(26)25-7-5-17(6-8-25)14-24-9-11-27-12-10-24/h3-4,13,17H,5-12,14H2,1-2H3
InChIKeyIIPNRKIDVSNUMJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds3

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

(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110304852) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110304852
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC(CN4CCOCC4)CC3)cc2nc1C
InChIInChI=1S/C21H28N4O2/c1-15-16(2)23-20-13-18(3-4-19(20)22-15)21(26)25-7-5-17(6-8-25)14-24-9-11-27-12-10-24/h3-4,13,17H,5-12,14H2,1-2H3
InChIKeyIIPNRKIDVSNUMJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470
1-methyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 75461257
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55844203

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 110304852) is (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCC(CN4CCOCC4)CC3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is IIPNRKIDVSNUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-16(2)23-20-13-18(3-4-19(20)22-15)21(26)25-7-5-17(6-8-25)14-24-9-11-27-12-10-24/h3-4,13,17H,5-12,14H2,1-2H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.43, 3 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-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110304852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).