3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C11H17N3O2S — CID 47197193

IUPAC3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C11H17N3O2S/c1-8-5-12-10(17-8)13-11(16)14-4-2-3-9(6-14)7-15/h5,9,15H,2-4,6-7H2,1H3,(H,12,13,16)
InChIKeyQHJGDJLMBUSELG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.69
Rot. Bonds2

About 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 47197193) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID47197193
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C11H17N3O2S/c1-8-5-12-10(17-8)13-11(16)14-4-2-3-9(6-14)7-15/h5,9,15H,2-4,6-7H2,1H3,(H,12,13,16)
InChIKeyQHJGDJLMBUSELG-UHFFFAOYSA-N
XLogP1.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 47197193) is 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCCC(CO)C2)s1.
What is the InChIKey of 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is QHJGDJLMBUSELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-5-12-10(17-8)13-11(16)14-4-2-3-9(6-14)7-15/h5,9,15H,2-4,6-7H2,1H3,(H,12,13,16).
What are the key properties of 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47197193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).