(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C25H32N4O4 — CID 92503741

About (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide

(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 92503741) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
• PubChem CID: 92503741
• Molecular Formula: C25H32N4O4
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.24
• IUPAC Name: (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
• SMILES: COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCc4c(C)noc4C)CC3)[nH]c2c1
• InChI: InChI=1S/C25H32N4O4/c1-15(24(30)26-10-7-21-16(2)28-33-17(21)3)18-8-11-29(12-9-18)25(31)23-13-19-5-6-20(32-4)14-22(19)27-23/h5-6,13-15,18,27H,7-12H2,1-4H3,(H,26,30)/t15-/m1/s1
• InChIKey: BLGXCZOANJGSOG-OAHLLOKOSA-N
• XLogP: 3.63
• TPSA: 100.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?

The IUPAC name of (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 92503741) is (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

What is the SMILES notation for (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?

The canonical SMILES for (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide is COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCc4c(C)noc4C)CC3)[nH]c2c1.

What is the InChIKey of (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?

The InChIKey is BLGXCZOANJGSOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-15(24(30)26-10-7-21-16(2)28-33-17(21)3)18-8-11-29(12-9-18)25(31)23-13-19-5-6-20(32-4)14-22(19)27-23/h5-6,13-15,18,27H,7-12H2,1-4H3,(H,26,30)/t15-/m1/s1.

What are the key properties of (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?

(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 452.56 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 92503741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).