3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C20H24N4O2 — CID 124971956

IUPAC3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1
InChIInChI=1S/C20H24N4O2/c1-13-10-21-11-18(22-13)15-6-4-8-24(12-15)20(26)16-9-14-5-2-3-7-17(14)23-19(16)25/h9-11,15H,2-8,12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyJZUJOVFJMZVLCV-OAHLLOKOSA-N
MW352.44 g/mol
LogP2.37
Rot. Bonds2

About 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 124971956) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID124971956
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1
InChIInChI=1S/C20H24N4O2/c1-13-10-21-11-18(22-13)15-6-4-8-24(12-15)20(26)16-9-14-5-2-3-7-17(14)23-19(16)25/h9-11,15H,2-8,12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyJZUJOVFJMZVLCV-OAHLLOKOSA-N
XLogP2.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110106941
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125022013
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110104163
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 127246198
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124946295
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119412958
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 125025117
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127246156

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 124971956) is 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1cncc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1.
What is the InChIKey of 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is JZUJOVFJMZVLCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-10-21-11-18(22-13)15-6-4-8-24(12-15)20(26)16-9-14-5-2-3-7-17(14)23-19(16)25/h9-11,15H,2-8,12H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 124971956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).