8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

C28H29N3O5 — CID 166245225

About 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 166245225) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
• PubChem CID: 166245225
• Molecular Formula: C28H29N3O5
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.21
• IUPAC Name: 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
• SMILES: Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(O)(Cc4nc(C(C)C)no4)C3)cccc2c1=O
• InChI: InChI=1S/C28H29N3O5/c1-17(2)26-29-22(36-30-26)15-28(34)13-8-14-31(16-28)27(33)21-12-7-11-20-23(32)18(3)24(35-25(20)21)19-9-5-4-6-10-19/h4-7,9-12,17,34H,8,13-16H2,1-3H3
• InChIKey: DZDSVPJNFLKDJM-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 109.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?

The IUPAC name of 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (CID 166245225) is 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

What is the SMILES notation for 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?

The canonical SMILES for 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(O)(Cc4nc(C(C)C)no4)C3)cccc2c1=O.

What is the InChIKey of 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?

The InChIKey is DZDSVPJNFLKDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-17(2)26-29-22(36-30-26)15-28(34)13-8-14-31(16-28)27(33)21-12-7-11-20-23(32)18(3)24(35-25(20)21)19-9-5-4-6-10-19/h4-7,9-12,17,34H,8,13-16H2,1-3H3.

What are the key properties of 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?

8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 487.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-hydroxy-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 166245225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).