1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

C13H19N3O2S — CID 47869532

IUPAC1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2cscn2)CC1
InChIInChI=1S/C13H19N3O2S/c1-10(17)16-5-3-11(4-6-16)13(18)15(2)7-12-8-19-9-14-12/h8-9,11H,3-7H2,1-2H3
InChIKeyIXYQHRUYSWRHKC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.36
Rot. Bonds3

About 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 47869532) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID47869532
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2cscn2)CC1
InChIInChI=1S/C13H19N3O2S/c1-10(17)16-5-3-11(4-6-16)13(18)15(2)7-12-8-19-9-14-12/h8-9,11H,3-7H2,1-2H3
InChIKeyIXYQHRUYSWRHKC-UHFFFAOYSA-N
XLogP1.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (CID 47869532) is 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)Cc2cscn2)CC1.
What is the InChIKey of 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IXYQHRUYSWRHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(17)16-5-3-11(4-6-16)13(18)15(2)7-12-8-19-9-14-12/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47869532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).