(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide

C17H20N4O2 — CID 94457790

IUPAC(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2nc1C
InChIInChI=1S/C17H20N4O2/c1-10-11(2)20-15-8-12(5-6-14(15)19-10)17(23)21-7-3-4-13(9-21)16(18)22/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,22)/t13-/m0/s1
InChIKeyCYCFYVRTZVPCRX-ZDUSSCGKSA-N
MW312.37 g/mol
LogP1.58
Rot. Bonds2

About (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide

(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide (PubChem CID 94457790) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
PubChem CID94457790
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2nc1C
InChIInChI=1S/C17H20N4O2/c1-10-11(2)20-15-8-12(5-6-14(15)19-10)17(23)21-7-3-4-13(9-21)16(18)22/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,22)/t13-/m0/s1
InChIKeyCYCFYVRTZVPCRX-ZDUSSCGKSA-N
XLogP1.58
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 136549756
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide (CID 94457790) is (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide is Cc1nc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2nc1C.
What is the InChIKey of (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide?
The InChIKey is CYCFYVRTZVPCRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-11(2)20-15-8-12(5-6-14(15)19-10)17(23)21-7-3-4-13(9-21)16(18)22/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,22)/t13-/m0/s1.
What are the key properties of (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide?
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94457790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).