(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone

C16H19N3O — CID 110856129

IUPAC(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
SMILESCc1nc2ccccc2nc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H19N3O/c1-11-6-5-9-19(10-11)16(20)15-12(2)17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyMBDRLKFYCWAXOZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds1

About (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone

(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone (PubChem CID 110856129) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
PubChem CID110856129
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
SMILESCc1nc2ccccc2nc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H19N3O/c1-11-6-5-9-19(10-11)16(20)15-12(2)17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyMBDRLKFYCWAXOZ-UHFFFAOYSA-N
XLogP2.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 110465501
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(4-methyl-1,2-oxazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856012
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone (CID 110856129) is (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone is Cc1nc2ccccc2nc1C(=O)N1CCCC(C)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone?
The InChIKey is MBDRLKFYCWAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-6-5-9-19(10-11)16(20)15-12(2)17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone?
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone is sourced from PubChem (CID 110856129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).