3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C12H20N3OS+ — CID 3360547

IUPAC3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC1CC[NH+](CCC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-10-2-6-15(7-3-10)8-4-11(16)14-12-13-5-9-17-12/h5,9-10H,2-4,6-8H2,1H3,(H,13,14,16)/p+1
InChIKeyWNGPTZLZKGJFNN-UHFFFAOYSA-O
MW254.38 g/mol
LogP0.79
Rot. Bonds4

About 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3360547) has the molecular formula C12H20N3OS+ and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3360547
Molecular FormulaC12H20N3OS+
Molecular Weight254.38 g/mol
Exact Mass254.13
IUPAC Name3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC1CC[NH+](CCC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-10-2-6-15(7-3-10)8-4-11(16)14-12-13-5-9-17-12/h5,9-10H,2-4,6-8H2,1H3,(H,13,14,16)/p+1
InChIKeyWNGPTZLZKGJFNN-UHFFFAOYSA-O
XLogP0.79
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 3360547) is 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC1CC[NH+](CCC(=O)Nc2nccs2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WNGPTZLZKGJFNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19N3OS/c1-10-2-6-15(7-3-10)8-4-11(16)14-12-13-5-9-17-12/h5,9-10H,2-4,6-8H2,1H3,(H,13,14,16)/p+1.
What are the key properties of 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 254.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3360547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).