1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C13H19N3O2S — CID 32546254

IUPAC1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-9(2)12(18)16-6-3-10(4-7-16)11(17)15-13-14-5-8-19-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyBGMJKGUAPGPCIC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 32546254) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID32546254
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-9(2)12(18)16-6-3-10(4-7-16)11(17)15-13-14-5-8-19-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyBGMJKGUAPGPCIC-UHFFFAOYSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 32546254) is 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is BGMJKGUAPGPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(2)12(18)16-6-3-10(4-7-16)11(17)15-13-14-5-8-19-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 32546254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).