[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

C16H21NO6S — CID 27010046

IUPAC[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21NO6S/c1-12(15(18)22-2)23-16(19)13-6-8-14(9-7-13)24(20,21)17-10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1
InChIKeyLFCKMOARDGLFOI-GFCCVEGCSA-N
MW355.41 g/mol
LogP1.58
Rot. Bonds5

About [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 27010046) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
PubChem CID27010046
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21NO6S/c1-12(15(18)22-2)23-16(19)13-6-8-14(9-7-13)24(20,21)17-10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1
InChIKeyLFCKMOARDGLFOI-GFCCVEGCSA-N
XLogP1.58
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010048
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2638111
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41477040
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553685
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377094
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate
CID 7377150
[(2S)-1-anilino-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557001
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 40699579
methyl 2-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxypropanoate
CID 16568764
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 26009077

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate (CID 27010046) is [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate is COC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is LFCKMOARDGLFOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-12(15(18)22-2)23-16(19)13-6-8-14(9-7-13)24(20,21)17-10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate?
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate has a molecular weight of 355.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 27010046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).