1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide

C13H19N3O3S — CID 29205821

IUPAC1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1csc(=O)n1CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-9-8-20-13(19)16(9)7-4-11(17)15-5-2-10(3-6-15)12(14)18/h8,10H,2-7H2,1H3,(H2,14,18)
InChIKeyAIOPKFPSKQHKGE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.33
Rot. Bonds4

About 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide

1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 29205821) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide
PubChem CID29205821
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1csc(=O)n1CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-9-8-20-13(19)16(9)7-4-11(17)15-5-2-10(3-6-15)12(14)18/h8,10H,2-7H2,1H3,(H2,14,18)
InChIKeyAIOPKFPSKQHKGE-UHFFFAOYSA-N
XLogP0.33
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide (CID 29205821) is 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide is Cc1csc(=O)n1CCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is AIOPKFPSKQHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-8-20-13(19)16(9)7-4-11(17)15-5-2-10(3-6-15)12(14)18/h8,10H,2-7H2,1H3,(H2,14,18).
What are the key properties of 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide?
1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 29205821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).