8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one

C31H38N6O — CID 130228920

About 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one

8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130228920) has the molecular formula C31H38N6O and a molecular weight of 510.69 g/mol. Its IUPAC name is 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130228920
• Molecular Formula: C31H38N6O
• Molecular Weight: 510.69 g/mol
• Exact Mass: 510.31
• IUPAC Name: 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one
• SMILES: Cc1ccccc1N(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(N3CCNCC3)nc1)C(=O)N2
• InChI: InChI=1S/C31H38N6O/c1-24-8-6-7-11-27(24)35(2)31(25-9-4-3-5-10-25)16-14-30(15-17-31)23-37(29(38)34-30)26-12-13-28(33-22-26)36-20-18-32-19-21-36/h3-13,22,32H,14-21,23H2,1-2H3,(H,34,38)
• InChIKey: JYUDPBPXFROSIM-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 63.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.69
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one (CID 130228920) is 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one is Cc1ccccc1N(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(N3CCNCC3)nc1)C(=O)N2.

What is the InChIKey of 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is JYUDPBPXFROSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O/c1-24-8-6-7-11-27(24)35(2)31(25-9-4-3-5-10-25)16-14-30(15-17-31)23-37(29(38)34-30)26-12-13-28(33-22-26)36-20-18-32-19-21-36/h3-13,22,32H,14-21,23H2,1-2H3,(H,34,38).

What are the key properties of 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one?

8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 510.69 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(N,2-dimethylanilino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130228920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).