(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H28N4O2 — CID 94535153

About (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 94535153) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 94535153
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ncc(C(C)(C)C)o3)C2)n1
• InChI: InChI=1S/C20H28N4O2/c1-14-7-5-9-17(22-14)23-19(25)15-8-6-10-24(12-15)13-18-21-11-16(26-18)20(2,3)4/h5,7,9,11,15H,6,8,10,12-13H2,1-4H3,(H,22,23,25)/t15-/m0/s1
• InChIKey: ANZRQLMNPUJROX-HNNXBMFYSA-N
• XLogP: 3.53
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 94535153) is (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ncc(C(C)(C)C)o3)C2)n1.

What is the InChIKey of (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is ANZRQLMNPUJROX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-7-5-9-17(22-14)23-19(25)15-8-6-10-24(12-15)13-18-21-11-16(26-18)20(2,3)4/h5,7,9,11,15H,6,8,10,12-13H2,1-4H3,(H,22,23,25)/t15-/m0/s1.

What are the key properties of (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 94535153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).