[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone

C18H19N5O3S — CID 121151967

IUPAC[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H19N5O3S/c1-22-11-8-19-18(22)27(25,26)13-6-9-23(10-7-13)17(24)16-12-20-14-4-2-3-5-15(14)21-16/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyXRRUEGDSKREHDH-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.44
Rot. Bonds3

About [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone

[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 121151967) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID121151967
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H19N5O3S/c1-22-11-8-19-18(22)27(25,26)13-6-9-23(10-7-13)17(24)16-12-20-14-4-2-3-5-15(14)21-16/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyXRRUEGDSKREHDH-UHFFFAOYSA-N
XLogP1.44
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
[4-[4-[4-(methoxymethyl)phenyl]phenyl]sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 24731052
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
CID 24730849
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 121152128
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
CID 91814547
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 91814576

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone (CID 121151967) is [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cnc3ccccc3n2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is XRRUEGDSKREHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-22-11-8-19-18(22)27(25,26)13-6-9-23(10-7-13)17(24)16-12-20-14-4-2-3-5-15(14)21-16/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone?
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 385.45 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 121151967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).