(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H28N6O — CID 97138060

About (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97138060) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97138060
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CN1CC2(CCN(CCCn3cnnn3)CC2)C[C@H](c2ccccc2)C1=O
• InChI: InChI=1S/C20H28N6O/c1-24-15-20(14-18(19(24)27)17-6-3-2-4-7-17)8-12-25(13-9-20)10-5-11-26-16-21-22-23-26/h2-4,6-7,16,18H,5,8-15H2,1H3/t18-/m1/s1
• InChIKey: HGVQSEHTVIOUBY-GOSISDBHSA-N
• XLogP: 1.79
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97138060) is (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(CCCn3cnnn3)CC2)C[C@H](c2ccccc2)C1=O.

What is the InChIKey of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is HGVQSEHTVIOUBY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24-15-20(14-18(19(24)27)17-6-3-2-4-7-17)8-12-25(13-9-20)10-5-11-26-16-21-22-23-26/h2-4,6-7,16,18H,5,8-15H2,1H3/t18-/m1/s1.

What are the key properties of (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?

(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.49 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97138060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).