(3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C25H29N3O2 — CID 100615184

About (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 100615184) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 100615184
• Molecular Formula: C25H29N3O2
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.23
• IUPAC Name: (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1
• InChI: InChI=1S/C25H29N3O2/c1-18-6-4-10-24(26-18)27-25(30)22-9-5-13-28(16-22)17-23(29)15-19-11-12-20-7-2-3-8-21(20)14-19/h2-4,6-8,10-12,14,22-23,29H,5,9,13,15-17H2,1H3,(H,26,27,30)/t22-,23-/m0/s1
• InChIKey: OVGZOBWFBNCWGD-GOTSBHOMSA-N
• XLogP: 3.80
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 100615184) is (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1.

What is the InChIKey of (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is OVGZOBWFBNCWGD-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-6-4-10-24(26-18)27-25(30)22-9-5-13-28(16-22)17-23(29)15-19-11-12-20-7-2-3-8-21(20)14-19/h2-4,6-8,10-12,14,22-23,29H,5,9,13,15-17H2,1H3,(H,26,27,30)/t22-,23-/m0/s1.

What are the key properties of (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

(3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 100615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).