[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

C18H19N5O — CID 95383312

IUPAC[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1
InChIInChI=1S/C18H19N5O/c1-13-9-20-23(11-13)14-5-4-8-22(12-14)18(24)17-10-19-15-6-2-3-7-16(15)21-17/h2-3,6-7,9-11,14H,4-5,8,12H2,1H3/t14-/m1/s1
InChIKeyYVCLHPQLNFPSOP-CQSZACIVSA-N
MW321.38 g/mol
LogP2.61
Rot. Bonds2

About [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 95383312) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID95383312
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1
InChIInChI=1S/C18H19N5O/c1-13-9-20-23(11-13)14-5-4-8-22(12-14)18(24)17-10-19-15-6-2-3-7-16(15)21-17/h2-3,6-7,9-11,14H,4-5,8,12H2,1H3/t14-/m1/s1
InChIKeyYVCLHPQLNFPSOP-CQSZACIVSA-N
XLogP2.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95382851
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280348
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606751
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 95383312) is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone is Cc1cnn([C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)c1.
What is the InChIKey of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is YVCLHPQLNFPSOP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-9-20-23(11-13)14-5-4-8-22(12-14)18(24)17-10-19-15-6-2-3-7-16(15)21-17/h2-3,6-7,9-11,14H,4-5,8,12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 95383312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).