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

C27H30FN3O3S — CID 95084389

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

(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 95084389) has the molecular formula C27H30FN3O3S and a molecular weight of 495.62 g/mol. Its IUPAC name is (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
• PubChem CID: 95084389
• Molecular Formula: C27H30FN3O3S
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.20
• IUPAC Name: (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
• SMILES: COc1ccccc1CNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
• InChI: InChI=1S/C27H30FN3O3S/c1-17(25(32)29-16-21-6-4-5-7-23(21)34-3)19-12-14-31(15-13-19)27(33)24-18(2)30-26(35-24)20-8-10-22(28)11-9-20/h4-11,17,19H,12-16H2,1-3H3,(H,29,32)/t17-/m1/s1
• InChIKey: INJQLIVKJCKQAT-QGZVFWFLSA-N
• XLogP: 5.07
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 95084389) is (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

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

The canonical SMILES for (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1.

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

The InChIKey is INJQLIVKJCKQAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H30FN3O3S/c1-17(25(32)29-16-21-6-4-5-7-23(21)34-3)19-12-14-31(15-13-19)27(33)24-18(2)30-26(35-24)20-8-10-22(28)11-9-20/h4-11,17,19H,12-16H2,1-3H3,(H,29,32)/t17-/m1/s1.

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

(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 495.62 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 95084389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).