(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

C20H28N2O6S — CID 24686136

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)OC(C)C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C20H28N2O6S/c1-15-3-5-18(6-4-15)29(25,26)22-9-7-17(8-10-22)20(24)28-16(2)19(23)21-11-13-27-14-12-21/h3-6,16-17H,7-14H2,1-2H3
InChIKeyTUIOVMUCGHEZQP-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.19
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24686136) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24686136
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)OC(C)C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C20H28N2O6S/c1-15-3-5-18(6-4-15)29(25,26)22-9-7-17(8-10-22)20(24)28-16(2)19(23)21-11-13-27-14-12-21/h3-6,16-17H,7-14H2,1-2H3
InChIKeyTUIOVMUCGHEZQP-UHFFFAOYSA-N
XLogP1.19
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate (CID 24686136) is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate is Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC(C)C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is TUIOVMUCGHEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-15-3-5-18(6-4-15)29(25,26)22-9-7-17(8-10-22)20(24)28-16(2)19(23)21-11-13-27-14-12-21/h3-6,16-17H,7-14H2,1-2H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24686136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).