N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

C25H31N5O2 — CID 91890429

About N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (PubChem CID 91890429) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
• PubChem CID: 91890429
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
• SMILES: CCOc1cccc(CNC(=O)C2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1
• InChI: InChI=1S/C25H31N5O2/c1-2-32-20-9-5-7-18(15-20)16-27-25(31)19-8-6-13-29(17-19)24-23-21-10-3-4-11-22(21)28-30(23)14-12-26-24/h5,7,9,12,14-15,19H,2-4,6,8,10-11,13,16-17H2,1H3,(H,27,31)
• InChIKey: BPNDSAGSCPWSAX-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?

The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (CID 91890429) is N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is CCOc1cccc(CNC(=O)C2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1.

What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?

The InChIKey is BPNDSAGSCPWSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-2-32-20-9-5-7-18(15-20)16-27-25(31)19-8-6-13-29(17-19)24-23-21-10-3-4-11-22(21)28-30(23)14-12-26-24/h5,7,9,12,14-15,19H,2-4,6,8,10-11,13,16-17H2,1H3,(H,27,31).

What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?

N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 91890429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).