1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide

C24H28FN5O2 — CID 56563624

About 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide (PubChem CID 56563624) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide
• PubChem CID: 56563624
• Molecular Formula: C24H28FN5O2
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.22
• IUPAC Name: 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide
• SMILES: CC(C)C(NC(=O)C1CCCN(Cc2cccc(F)c2)C1)c1nc(-c2ccncc2)no1
• InChI: InChI=1S/C24H28FN5O2/c1-16(2)21(24-28-22(29-32-24)18-8-10-26-11-9-18)27-23(31)19-6-4-12-30(15-19)14-17-5-3-7-20(25)13-17/h3,5,7-11,13,16,19,21H,4,6,12,14-15H2,1-2H3,(H,27,31)
• InChIKey: CGVUBLSAYIFKTB-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide?

The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide (CID 56563624) is 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide is CC(C)C(NC(=O)C1CCCN(Cc2cccc(F)c2)C1)c1nc(-c2ccncc2)no1.

What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide?

The InChIKey is CGVUBLSAYIFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-16(2)21(24-28-22(29-32-24)18-8-10-26-11-9-18)27-23(31)19-6-4-12-30(15-19)14-17-5-3-7-20(25)13-17/h3,5,7-11,13,16,19,21H,4,6,12,14-15H2,1-2H3,(H,27,31).

What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide?

1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 56563624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).