(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate

C20H28N2O6S — CID 16528598

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O6S/c1-15-6-7-17(14-18(15)29(25,26)22-8-4-3-5-9-22)20(24)28-16(2)19(23)21-10-12-27-13-11-21/h6-7,14,16H,3-5,8-13H2,1-2H3
InChIKeyBCMJDRMWHIKVMX-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.57
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 16528598) 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) 4-methyl-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
PubChem CID16528598
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O6S/c1-15-6-7-17(14-18(15)29(25,26)22-8-4-3-5-9-22)20(24)28-16(2)19(23)21-10-12-27-13-11-21/h6-7,14,16H,3-5,8-13H2,1-2H3
InChIKeyBCMJDRMWHIKVMX-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methoxy-1-oxopropan-2-yl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568784
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981244
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981246
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476429
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476427
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 5012699
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295
(2-oxo-2-propan-2-yloxyethyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 46638412
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 42968641
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 55416590
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 5127650
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316057

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate (CID 16528598) is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is BCMJDRMWHIKVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-15-6-7-17(14-18(15)29(25,26)22-8-4-3-5-9-22)20(24)28-16(2)19(23)21-10-12-27-13-11-21/h6-7,14,16H,3-5,8-13H2,1-2H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 424.52 g/mol, XLogP of 1.57, 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) 4-methyl-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 16528598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).