5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide

C19H27N3O4S — CID 6462704

IUPAC5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C19H27N3O4S/c1-14(2)22-13-15(12-18(22)23)19(24)20-16-6-8-17(9-7-16)27(25,26)21-10-4-3-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,24)
InChIKeyJDFWOEXQUMTBED-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.06
Rot. Bonds5

About 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide

5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 6462704) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID6462704
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C19H27N3O4S/c1-14(2)22-13-15(12-18(22)23)19(24)20-16-6-8-17(9-7-16)27(25,26)21-10-4-3-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,24)
InChIKeyJDFWOEXQUMTBED-UHFFFAOYSA-N
XLogP2.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide (CID 6462704) is 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O.
What is the InChIKey of 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JDFWOEXQUMTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14(2)22-13-15(12-18(22)23)19(24)20-16-6-8-17(9-7-16)27(25,26)21-10-4-3-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,24).
What are the key properties of 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide?
5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6462704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).