1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C26H31N3O2 — CID 97045189

About 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 97045189) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
• PubChem CID: 97045189
• Molecular Formula: C26H31N3O2
• Molecular Weight: 417.55 g/mol
• Exact Mass: 417.24
• IUPAC Name: 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
• SMILES: COc1ccc2[nH]cc(CN3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)c2c1
• InChI: InChI=1S/C26H31N3O2/c1-31-21-9-10-24-23(15-21)20(16-27-24)17-29-13-11-19(12-14-29)26(30)28-25-8-4-6-18-5-2-3-7-22(18)25/h2-3,5,7,9-10,15-16,19,25,27H,4,6,8,11-14,17H2,1H3,(H,28,30)/t25-/m0/s1
• InChIKey: ATMMCRDXDJXREX-VWLOTQADSA-N
• XLogP: 4.58
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.55
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 97045189) is 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is COc1ccc2[nH]cc(CN3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)c2c1.

What is the InChIKey of 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?

The InChIKey is ATMMCRDXDJXREX-VWLOTQADSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-31-21-9-10-24-23(15-21)20(16-27-24)17-29-13-11-19(12-14-29)26(30)28-25-8-4-6-18-5-2-3-7-22(18)25/h2-3,5,7,9-10,15-16,19,25,27H,4,6,8,11-14,17H2,1H3,(H,28,30)/t25-/m0/s1.

What are the key properties of 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?

1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 97045189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).