N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

C25H35N3O2 — CID 95850865

About N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (PubChem CID 95850865) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
• PubChem CID: 95850865
• Molecular Formula: C25H35N3O2
• Molecular Weight: 409.57 g/mol
• Exact Mass: 409.27
• IUPAC Name: N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
• SMILES: COc1ccc(C)cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1
• InChI: InChI=1S/C25H35N3O2/c1-18-9-10-22(30-5)20(16-18)17-28-14-11-19(12-15-28)23(21-8-6-7-13-26-21)27-24(29)25(2,3)4/h6-10,13,16,19,23H,11-12,14-15,17H2,1-5H3,(H,27,29)/t23-/m0/s1
• InChIKey: CVPFYPKQMVNGKF-QHCPKHFHSA-N
• XLogP: 4.51
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.57
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (CID 95850865) is N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is COc1ccc(C)cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1.

What is the InChIKey of N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

The InChIKey is CVPFYPKQMVNGKF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-18-9-10-22(30-5)20(16-18)17-28-14-11-19(12-15-28)23(21-8-6-7-13-26-21)27-24(29)25(2,3)4/h6-10,13,16,19,23H,11-12,14-15,17H2,1-5H3,(H,27,29)/t23-/m0/s1.

What are the key properties of N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide has a molecular weight of 409.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95850865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).