ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate

C25H30N2O6S — CID 2972736

IUPACethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1
InChIInChI=1S/C25H30N2O6S/c1-2-32-25(29)20-13-16-26(17-14-20)24(28)18-33-21-9-11-22(12-10-21)34(30,31)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-12,20H,2,5,7,13-18H2,1H3
InChIKeyWMIXXMVAJFVTTI-UHFFFAOYSA-N
MW486.59 g/mol
LogP3.01
Rot. Bonds7

About ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate (PubChem CID 2972736) has the molecular formula C25H30N2O6S and a molecular weight of 486.59 g/mol. Its IUPAC name is ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate
PubChem CID2972736
Molecular FormulaC25H30N2O6S
Molecular Weight486.59 g/mol
Exact Mass486.18
IUPAC Nameethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1
InChIInChI=1S/C25H30N2O6S/c1-2-32-25(29)20-13-16-26(17-14-20)24(28)18-33-21-9-11-22(12-10-21)34(30,31)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-12,20H,2,5,7,13-18H2,1H3
InChIKeyWMIXXMVAJFVTTI-UHFFFAOYSA-N
XLogP3.01
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126396736
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531649
ethyl 1-[2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenyl]acetyl]piperidine-4-carboxylate
CID 46338651
ethyl 1-[2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 21368070
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401935
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
CID 86826616

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate (CID 2972736) is ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate?
The InChIKey is WMIXXMVAJFVTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6S/c1-2-32-25(29)20-13-16-26(17-14-20)24(28)18-33-21-9-11-22(12-10-21)34(30,31)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-12,20H,2,5,7,13-18H2,1H3.
What are the key properties of ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate has a molecular weight of 486.59 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2972736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).