[1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid

C27H27N5O3 — CID 118057660

About [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid

[1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 118057660) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid
• PubChem CID: 118057660
• Molecular Formula: C27H27N5O3
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.21
• IUPAC Name: [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid
• SMILES: Cc1cc(C)cc(-c2cncc(-c3nnc(-c4ccccc4)o3)c2N2CCC(NC(=O)O)CC2)c1
• InChI: InChI=1S/C27H27N5O3/c1-17-12-18(2)14-20(13-17)22-15-28-16-23(24(22)32-10-8-21(9-11-32)29-27(33)34)26-31-30-25(35-26)19-6-4-3-5-7-19/h3-7,12-16,21,29H,8-11H2,1-2H3,(H,33,34)
• InChIKey: YOIWXPVGHHODCT-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid?

The IUPAC name of [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid (CID 118057660) is [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid.

What is the SMILES notation for [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid?

The canonical SMILES for [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid is Cc1cc(C)cc(-c2cncc(-c3nnc(-c4ccccc4)o3)c2N2CCC(NC(=O)O)CC2)c1.

What is the InChIKey of [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid?

The InChIKey is YOIWXPVGHHODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-17-12-18(2)14-20(13-17)22-15-28-16-23(24(22)32-10-8-21(9-11-32)29-27(33)34)26-31-30-25(35-26)19-6-4-3-5-7-19/h3-7,12-16,21,29H,8-11H2,1-2H3,(H,33,34).

What are the key properties of [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid?

[1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 469.55 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-(3,5-dimethylphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 118057660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).