1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide

C19H29N3O4S — CID 1287856

IUPAC1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-14(2)13-21-27(25,26)17-6-3-15(4-7-17)5-8-18(23)22-11-9-16(10-12-22)19(20)24/h3-4,6-7,14,16,21H,5,8-13H2,1-2H3,(H2,20,24)
InChIKeyXCQZTTYOMATGQH-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.28
Rot. Bonds8

About 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide

1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 1287856) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID1287856
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-14(2)13-21-27(25,26)17-6-3-15(4-7-17)5-8-18(23)22-11-9-16(10-12-22)19(20)24/h3-4,6-7,14,16,21H,5,8-13H2,1-2H3,(H2,20,24)
InChIKeyXCQZTTYOMATGQH-UHFFFAOYSA-N
XLogP1.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide (CID 1287856) is 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is XCQZTTYOMATGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-14(2)13-21-27(25,26)17-6-3-15(4-7-17)5-8-18(23)22-11-9-16(10-12-22)19(20)24/h3-4,6-7,14,16,21H,5,8-13H2,1-2H3,(H2,20,24).
What are the key properties of 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 1287856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).