N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide

C28H40N4O2 — CID 143088228

About N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide

N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide (PubChem CID 143088228) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide
• PubChem CID: 143088228
• Molecular Formula: C28H40N4O2
• Molecular Weight: 464.65 g/mol
• Exact Mass: 464.32
• IUPAC Name: N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide
• SMILES: O=C(NC1CCN(CCN2C3CCCC2CC3)CC1)c1cc2c(OCC3CCC3)cccc2[nH]1
• InChI: InChI=1S/C28H40N4O2/c33-28(26-18-24-25(30-26)8-3-9-27(24)34-19-20-4-1-5-20)29-21-12-14-31(15-13-21)16-17-32-22-6-2-7-23(32)11-10-22/h3,8-9,18,20-23,30H,1-2,4-7,10-17,19H2,(H,29,33)
• InChIKey: IMFJLZIXZZVCHG-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.65
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide (CID 143088228) is N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide is O=C(NC1CCN(CCN2C3CCCC2CC3)CC1)c1cc2c(OCC3CCC3)cccc2[nH]1.

What is the InChIKey of N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide?

The InChIKey is IMFJLZIXZZVCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c33-28(26-18-24-25(30-26)8-3-9-27(24)34-19-20-4-1-5-20)29-21-12-14-31(15-13-21)16-17-32-22-6-2-7-23(32)11-10-22/h3,8-9,18,20-23,30H,1-2,4-7,10-17,19H2,(H,29,33).

What are the key properties of N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide?

N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 143088228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).