(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide

C22H24N4O3 — CID 94606951

About (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide

(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide (PubChem CID 94606951) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
• PubChem CID: 94606951
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)nc1
• InChI: InChI=1S/C22H24N4O3/c1-15-9-10-20(23-13-15)24-21(27)17-8-5-11-26(14-17)22(28)18-12-19(29-25-18)16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17,19H,5,8,11-12,14H2,1H3,(H,23,24,27)/t17-,19-/m1/s1
• InChIKey: QRPAWJXSWSQTBS-IEBWSBKVSA-N
• XLogP: 3.08
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide (CID 94606951) is (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)nc1.

What is the InChIKey of (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?

The InChIKey is QRPAWJXSWSQTBS-IEBWSBKVSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-9-10-20(23-13-15)24-21(27)17-8-5-11-26(14-17)22(28)18-12-19(29-25-18)16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17,19H,5,8,11-12,14H2,1H3,(H,23,24,27)/t17-,19-/m1/s1.

What are the key properties of (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?

(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 94606951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).