1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C27H31N5O3 — CID 58967813

About 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 58967813) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 58967813
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
• InChI: InChI=1S/C27H31N5O3/c1-18(16-32-17-23(19(2)33)22-7-4-8-24(34-3)25(22)32)15-31-12-9-20(10-13-31)27-29-26(30-35-27)21-6-5-11-28-14-21/h4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3
• InChIKey: IYEJRHRTJKVIPC-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 86.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 58967813) is 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.

What is the InChIKey of 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is IYEJRHRTJKVIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-18(16-32-17-23(19(2)33)22-7-4-8-24(34-3)25(22)32)15-31-12-9-20(10-13-31)27-29-26(30-35-27)21-6-5-11-28-14-21/h4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3.

What are the key properties of 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 473.58 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 58967813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).