8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one

C25H29N3O5S — CID 159994123

IUPAC8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one
SMILESCC(C)CC1(O)CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4ncc(=O)[nH]c34)cc2)CC1
InChIInChI=1S/C25H29N3O5S/c1-17(2)14-25(31)10-12-28(13-11-25)24(30)19-8-6-18(7-9-19)16-34(32,33)21-5-3-4-20-23(21)27-22(29)15-26-20/h3-9,15,17,31H,10-14,16H2,1-2H3,(H,27,29)
InChIKeyOHICUIYZDANFPE-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.91
Rot. Bonds6

About 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one

8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one (PubChem CID 159994123) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one
PubChem CID159994123
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one
SMILESCC(C)CC1(O)CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4ncc(=O)[nH]c34)cc2)CC1
InChIInChI=1S/C25H29N3O5S/c1-17(2)14-25(31)10-12-28(13-11-25)24(30)19-8-6-18(7-9-19)16-34(32,33)21-5-3-4-20-23(21)27-22(29)15-26-20/h3-9,15,17,31H,10-14,16H2,1-2H3,(H,27,29)
InChIKeyOHICUIYZDANFPE-UHFFFAOYSA-N
XLogP2.91
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

[4-[(4-fluoronaphthalen-1-yl)sulfonylmethyl]phenyl]-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]methanone
CID 153169065
[4-[(2-aminoquinoxalin-5-yl)sulfonylmethyl]phenyl]-(4-butyl-4-hydroxypiperidin-1-yl)methanone
CID 158072527
[4-[(2-aminoquinoxalin-5-yl)sulfonylmethyl]phenyl]-[4-hydroxy-4-(4,4,4-trifluorobutyl)piperidin-1-yl]methanone
CID 146752048
[4-[(2-amino-6-fluoro-1,3-benzothiazol-4-yl)sulfonylmethyl]phenyl]-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]methanone
CID 148576431
[4-(1,3-benzothiazol-4-ylsulfonylmethyl)phenyl]-[4-(3,3-difluoroprop-2-enyl)-4-hydroxypiperidin-1-yl]methanone
CID 160995455
[4-hydroxy-4-[(3-methyl-1,2-thiazol-4-yl)methyl]piperidin-1-yl]-[4-(quinoxalin-5-ylsulfonylmethyl)phenyl]methanone
CID 147641708
(4-benzyl-4-hydroxypiperidin-1-yl)-[4-[(3-fluoroquinolin-8-yl)sulfonylmethyl]phenyl]methanone
CID 147462527
N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridine-8-sulfonamide
CID 90447640
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159099032
[4-(1,3-benzothiazol-4-ylsulfonylmethyl)phenyl]-[4-hydroxy-4-(1,2-thiazol-5-yl)piperidin-1-yl]methanone
CID 158738264
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(2-fluoroquinolin-5-yl)sulfonylmethyl]phenyl]methanone
CID 152867731
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(2-methyl-1,3-benzoxazol-4-yl)sulfonylmethyl]phenyl]methanone
CID 149485819

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one?
The IUPAC name of 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one (CID 159994123) is 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one is CC(C)CC1(O)CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4ncc(=O)[nH]c34)cc2)CC1.
What is the InChIKey of 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one?
The InChIKey is OHICUIYZDANFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-17(2)14-25(31)10-12-28(13-11-25)24(30)19-8-6-18(7-9-19)16-34(32,33)21-5-3-4-20-23(21)27-22(29)15-26-20/h3-9,15,17,31H,10-14,16H2,1-2H3,(H,27,29).
What are the key properties of 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one?
8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one has a molecular weight of 483.59 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]methylsulfonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 159994123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).