[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C26H32N2O5S — CID 55490199

IUPAC[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H32N2O5S/c1-18-8-11-23(34(31,32)27-22-9-10-22)17-24(18)26(30)33-19(2)25(29)28-14-12-21(13-15-28)16-20-6-4-3-5-7-20/h3-8,11,17,19,21-22,27H,9-10,12-16H2,1-2H3
InChIKeyYGDHVGPIAZDNGP-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.46
Rot. Bonds8

About [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 55490199) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID55490199
Molecular FormulaC26H32N2O5S
Molecular Weight484.62 g/mol
Exact Mass484.20
IUPAC Name[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H32N2O5S/c1-18-8-11-23(34(31,32)27-22-9-10-22)17-24(18)26(30)33-19(2)25(29)28-14-12-21(13-15-28)16-20-6-4-3-5-7-20/h3-8,11,17,19,21-22,27H,9-10,12-16H2,1-2H3
InChIKeyYGDHVGPIAZDNGP-UHFFFAOYSA-N
XLogP3.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate with MolForge

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Related Compounds

N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639
benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679142
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 55424239
[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383702
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 55417675
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55320301
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679283
[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386456
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55540555
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46457201
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 55490199) is [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OC(C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is YGDHVGPIAZDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-18-8-11-23(34(31,32)27-22-9-10-22)17-24(18)26(30)33-19(2)25(29)28-14-12-21(13-15-28)16-20-6-4-3-5-7-20/h3-8,11,17,19,21-22,27H,9-10,12-16H2,1-2H3.
What are the key properties of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate has a molecular weight of 484.62 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 55490199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).