N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide

C20H24ClN3O3S — CID 25277586

About N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide (PubChem CID 25277586) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 25277586
• Molecular Formula: C20H24ClN3O3S
• Molecular Weight: 421.95 g/mol
• Exact Mass: 421.12
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2csc(C)n2)C1
• InChI: InChI=1S/C20H24ClN3O3S/c1-13-22-17(12-28-13)20(26)24-9-3-4-14(11-24)5-8-19(25)23-16-10-15(21)6-7-18(16)27-2/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,23,25)/t14-/m1/s1
• InChIKey: VNJPSMNSEFJBAV-CQSZACIVSA-N
• XLogP: 4.38
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.95
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide (CID 25277586) is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide.

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

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2csc(C)n2)C1.

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

The InChIKey is VNJPSMNSEFJBAV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-13-22-17(12-28-13)20(26)24-9-3-4-14(11-24)5-8-19(25)23-16-10-15(21)6-7-18(16)27-2/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,23,25)/t14-/m1/s1.

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

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 421.95 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 25277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).