N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C24H29N5O3 — CID 55623767

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55623767) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55623767
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: COc1ccc(C(CNC(=O)CCc2nc(-c3cccnc3)no2)N2CCCCC2)cc1
• InChI: InChI=1S/C24H29N5O3/c1-31-20-9-7-18(8-10-20)21(29-14-3-2-4-15-29)17-26-22(30)11-12-23-27-24(28-32-23)19-6-5-13-25-16-19/h5-10,13,16,21H,2-4,11-12,14-15,17H2,1H3,(H,26,30)
• InChIKey: CKVARNDKSXOOPZ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55623767) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccc(C(CNC(=O)CCc2nc(-c3cccnc3)no2)N2CCCCC2)cc1.

What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is CKVARNDKSXOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-31-20-9-7-18(8-10-20)21(29-14-3-2-4-15-29)17-26-22(30)11-12-23-27-24(28-32-23)19-6-5-13-25-16-19/h5-10,13,16,21H,2-4,11-12,14-15,17H2,1H3,(H,26,30).

What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 435.53 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55623767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).