methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate

C17H23FN2O5S — CID 55600254

IUPACmethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O5S/c1-17(2,16(22)25-3)19-15(21)12-8-10-20(11-9-12)26(23,24)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyDEEGQUSQQBMZCT-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.29
Rot. Bonds5

About methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate

methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate (PubChem CID 55600254) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
PubChem CID55600254
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Namemethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O5S/c1-17(2,16(22)25-3)19-15(21)12-8-10-20(11-9-12)26(23,24)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyDEEGQUSQQBMZCT-UHFFFAOYSA-N
XLogP1.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
CID 30875793
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647
ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55609575
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 9452268
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate (CID 55600254) is methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
The InChIKey is DEEGQUSQQBMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-17(2,16(22)25-3)19-15(21)12-8-10-20(11-9-12)26(23,24)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate has a molecular weight of 386.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 55600254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).