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

C12H17N3O2S — CID 47259506

IUPAC1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)Nc1nccs1
InChIInChI=1S/C12H17N3O2S/c1-2-10(16)15-7-4-3-5-9(15)11(17)14-12-13-6-8-18-12/h6,8-9H,2-5,7H2,1H3,(H,13,14,17)
InChIKeyHFQMZVRHCSVQHE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.87
Rot. Bonds3

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

1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 47259506) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID47259506
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)Nc1nccs1
InChIInChI=1S/C12H17N3O2S/c1-2-10(16)15-7-4-3-5-9(15)11(17)14-12-13-6-8-18-12/h6,8-9H,2-5,7H2,1H3,(H,13,14,17)
InChIKeyHFQMZVRHCSVQHE-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 47259506) is 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)Nc1nccs1.
What is the InChIKey of 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is HFQMZVRHCSVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-10(16)15-7-4-3-5-9(15)11(17)14-12-13-6-8-18-12/h6,8-9H,2-5,7H2,1H3,(H,13,14,17).
What are the key properties of 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 47259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).