N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

C21H28N4O2S — CID 97282681

About N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 97282681) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 97282681
• Molecular Formula: C21H28N4O2S
• Molecular Weight: 400.55 g/mol
• Exact Mass: 400.19
• IUPAC Name: N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: Cc1ncsc1C(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1
• InChI: InChI=1S/C21H28N4O2S/c1-16-20(28-15-23-16)21(27)25-12-5-6-17(14-25)8-9-19(26)24(2)13-10-18-7-3-4-11-22-18/h3-4,7,11,15,17H,5-6,8-10,12-14H2,1-2H3/t17-/m0/s1
• InChIKey: NZWIMUDXHIZPMZ-KRWDZBQOSA-N
• XLogP: 3.18
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.55
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 97282681) is N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is Cc1ncsc1C(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1.

What is the InChIKey of N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is NZWIMUDXHIZPMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-16-20(28-15-23-16)21(27)25-12-5-6-17(14-25)8-9-19(26)24(2)13-10-18-7-3-4-11-22-18/h3-4,7,11,15,17H,5-6,8-10,12-14H2,1-2H3/t17-/m0/s1.

What are the key properties of N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 400.55 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 97282681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).