1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H41N4OP3 — CID 170237150

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 170237150) has the molecular formula C28H41N4OP3 and a molecular weight of 542.59 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 170237150
• Molecular Formula: C28H41N4OP3
• Molecular Weight: 542.59 g/mol
• Exact Mass: 542.25
• IUPAC Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: Cc1cc(C(P)(P)P)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
• InChI: InChI=1S/C28H41N4OP3/c1-20-16-24(28(34,35)36)29-17-23(20)31-19-26(32(25(31)33)18-21-8-7-9-21)12-14-27(15-13-26,30(2)3)22-10-5-4-6-11-22/h4-6,10-11,16-17,21H,7-9,12-15,18-19,34-36H2,1-3H3
• InChIKey: DPHWFQZNDICDJX-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 39.68 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.59
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 170237150) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(P)(P)P)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.

What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is DPHWFQZNDICDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N4OP3/c1-20-16-24(28(34,35)36)29-17-23(20)31-19-26(32(25(31)33)18-21-8-7-9-21)12-14-27(15-13-26,30(2)3)22-10-5-4-6-11-22/h4-6,10-11,16-17,21H,7-9,12-15,18-19,34-36H2,1-3H3.

What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 542.59 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 170237150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).