methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

C17H24N2O5S — CID 42990230

IUPACmethyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C17H24N2O5S/c1-3-10-18-16(20)13-8-11-19(12-9-13)25(22,23)15-7-5-4-6-14(15)17(21)24-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyWLAZIXTXXMBRQG-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.40
Rot. Bonds6

About methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate (PubChem CID 42990230) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
PubChem CID42990230
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Namemethyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C17H24N2O5S/c1-3-10-18-16(20)13-8-11-19(12-9-13)25(22,23)15-7-5-4-6-14(15)17(21)24-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyWLAZIXTXXMBRQG-UHFFFAOYSA-N
XLogP1.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507
methyl 2-[4-[(2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 8780417
methyl 2-[4-[2-(7-cyclopropyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 167981071
2-oxopropyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7483565
methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
methyl 2-(3-methylpyrrolidin-1-yl)sulfonylbenzoate
CID 113229712
methyl 2-[4-(4-methylidenepiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 56538333
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
(4-methoxycarbonylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 30279484
1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 8531440
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate?
The IUPAC name of methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate (CID 42990230) is methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate.
What is the SMILES notation for methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate?
The canonical SMILES for methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate is CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate?
The InChIKey is WLAZIXTXXMBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-10-18-16(20)13-8-11-19(12-9-13)25(22,23)15-7-5-4-6-14(15)17(21)24-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate?
methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate has a molecular weight of 368.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate is sourced from PubChem (CID 42990230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).