(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

C25H31N3O2 — CID 42453744

About (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 42453744) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 42453744
• Molecular Formula: C25H31N3O2
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.24
• IUPAC Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
• SMILES: CCCn1ncc(CN2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C
• InChI: InChI=1S/C25H31N3O2/c1-4-11-28-18(2)23(15-26-28)17-27-12-5-6-22(16-27)25(29)21-8-7-20-14-24(30-3)10-9-19(20)13-21/h7-10,13-15,22H,4-6,11-12,16-17H2,1-3H3/t22-/m0/s1
• InChIKey: GADWXYQRYAOHRZ-QFIPXVFZSA-N
• XLogP: 4.86
• TPSA: 47.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?

The IUPAC name of (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (CID 42453744) is (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.

What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?

The canonical SMILES for (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is CCCn1ncc(CN2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C.

What is the InChIKey of (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?

The InChIKey is GADWXYQRYAOHRZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-4-11-28-18(2)23(15-26-28)17-27-12-5-6-22(16-27)25(29)21-8-7-20-14-24(30-3)10-9-19(20)13-21/h7-10,13-15,22H,4-6,11-12,16-17H2,1-3H3/t22-/m0/s1.

What are the key properties of (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?

(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 405.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 42453744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).