N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

C14H23N3OS — CID 72906322

IUPACN-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN(Cc1nccs1)C(=O)CCC1CCCCN1C
InChIInChI=1S/C14H23N3OS/c1-16-9-4-3-5-12(16)6-7-14(18)17(2)11-13-15-8-10-19-13/h8,10,12H,3-7,9,11H2,1-2H3
InChIKeyOLEUEIRQUWARRL-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 72906322) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID72906322
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN(Cc1nccs1)C(=O)CCC1CCCCN1C
InChIInChI=1S/C14H23N3OS/c1-16-9-4-3-5-12(16)6-7-14(18)17(2)11-13-15-8-10-19-13/h8,10,12H,3-7,9,11H2,1-2H3
InChIKeyOLEUEIRQUWARRL-UHFFFAOYSA-N
XLogP2.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 72906322) is N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is CN(Cc1nccs1)C(=O)CCC1CCCCN1C.
What is the InChIKey of N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is OLEUEIRQUWARRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-16-9-4-3-5-12(16)6-7-14(18)17(2)11-13-15-8-10-19-13/h8,10,12H,3-7,9,11H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 281.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 72906322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).