(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate

C24H25N3O5S — CID 25497624

IUPAC(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc4ccccc4nc3C)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-16-23(26-22-6-4-3-5-21(22)25-16)15-32-24(29)19-11-13-27(14-12-19)33(30,31)20-9-7-18(8-10-20)17(2)28/h3-10,19H,11-15H2,1-2H3
InChIKeyPLLAGFQSMVCZCP-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.28
Rot. Bonds6

About (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate

(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 25497624) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID25497624
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc4ccccc4nc3C)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-16-23(26-22-6-4-3-5-21(22)25-16)15-32-24(29)19-11-13-27(14-12-19)33(30,31)20-9-7-18(8-10-20)17(2)28/h3-10,19H,11-15H2,1-2H3
InChIKeyPLLAGFQSMVCZCP-UHFFFAOYSA-N
XLogP3.28
TPSA106.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 55309589
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 46688863
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
[2-(2-acetylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150970
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 16570353
(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 55641866
(3-methoxycarbonylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 42981610
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55404012
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate (CID 25497624) is (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc4ccccc4nc3C)CC2)cc1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is PLLAGFQSMVCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-16-23(26-22-6-4-3-5-21(22)25-16)15-32-24(29)19-11-13-27(14-12-19)33(30,31)20-9-7-18(8-10-20)17(2)28/h3-10,19H,11-15H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate?
(3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 25497624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).