N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine

C30H34N6O2 — CID 169092459

About N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 169092459) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

• Compound Name: N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
• PubChem CID: 169092459
• Molecular Formula: C30H34N6O2
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.27
• IUPAC Name: N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
• SMILES: c1cc(NC2CCC3(CC2)OCCO3)cc(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)c1
• InChI: InChI=1S/C30H34N6O2/c1-2-7-28-27(6-1)31-20-29(34-28)22-19-32-36(21-22)25-10-14-35(15-11-25)26-5-3-4-24(18-26)33-23-8-12-30(13-9-23)37-16-17-38-30/h1-7,18-21,23,25,33H,8-17H2
• InChIKey: DIDLGQJXSYGWGE-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?

The IUPAC name of N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 169092459) is N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine.

What is the SMILES notation for N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?

The canonical SMILES for N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine is c1cc(NC2CCC3(CC2)OCCO3)cc(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)c1.

What is the InChIKey of N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?

The InChIKey is DIDLGQJXSYGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-2-7-28-27(6-1)31-20-29(34-28)22-19-32-36(21-22)25-10-14-35(15-11-25)26-5-3-4-24(18-26)33-23-8-12-30(13-9-23)37-16-17-38-30/h1-7,18-21,23,25,33H,8-17H2.

What are the key properties of N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?

N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 510.64 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 169092459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).