N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C21H29ClN4O3 — CID 119783667

About N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119783667) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
• PubChem CID: 119783667
• Molecular Formula: C21H29ClN4O3
• Molecular Weight: 420.94 g/mol
• Exact Mass: 420.19
• IUPAC Name: N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
• SMILES: CC(CC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)C1CCCNC1.Cl
• InChI: InChI=1S/C21H28N4O3.ClH/c1-14(16-3-2-10-22-12-16)11-20(26)23-17-6-8-18(9-7-17)27-13-19-24-21(28-25-19)15-4-5-15;/h6-9,14-16,22H,2-5,10-13H2,1H3,(H,23,26);1H
• InChIKey: MUFPTZKOBJQMJV-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.94
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?

The IUPAC name of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119783667) is N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

What is the SMILES notation for N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?

The canonical SMILES for N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)C1CCCNC1.Cl.

What is the InChIKey of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?

The InChIKey is MUFPTZKOBJQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.ClH/c1-14(16-3-2-10-22-12-16)11-20(26)23-17-6-8-18(9-7-17)27-13-19-24-21(28-25-19)15-4-5-15;/h6-9,14-16,22H,2-5,10-13H2,1H3,(H,23,26);1H.

What are the key properties of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?

N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119783667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).