6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one

C16H22N3O2P — CID 170035762

IUPAC6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one
SMILESO=C(CP)N1CCN(Cc2ccccc2)C2(CCNC2=O)C1
InChIInChI=1S/C16H22N3O2P/c20-14(11-22)18-8-9-19(10-13-4-2-1-3-5-13)16(12-18)6-7-17-15(16)21/h1-5H,6-12,22H2,(H,17,21)
InChIKeyMYCJJYOYISQODK-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.46
Rot. Bonds3

About 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one

6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one (PubChem CID 170035762) has the molecular formula C16H22N3O2P and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one
PubChem CID170035762
Molecular FormulaC16H22N3O2P
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one
SMILESO=C(CP)N1CCN(Cc2ccccc2)C2(CCNC2=O)C1
InChIInChI=1S/C16H22N3O2P/c20-14(11-22)18-8-9-19(10-13-4-2-1-3-5-13)16(12-18)6-7-17-15(16)21/h1-5H,6-12,22H2,(H,17,21)
InChIKeyMYCJJYOYISQODK-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one
CID 168833923
pentan-3-yl 2-[[[2-(6-benzyl-1-oxo-2,6,9-triazaspiro[4.5]decan-9-yl)-2-oxoethoxy]-(2-methylpropoxy)phosphoryl]amino]propanoate
CID 168833921
4-amino-1-(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-3-methoxybutan-1-one;dihydrochloride
CID 120597300
1-benzyl-9-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495875
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
1-benzyl-9-(4-fluorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495869
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
CID 137480761
4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
CID 120565406
7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
1-[2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 86892316
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one?
The IUPAC name of 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one (CID 170035762) is 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one is O=C(CP)N1CCN(Cc2ccccc2)C2(CCNC2=O)C1.
What is the InChIKey of 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one?
The InChIKey is MYCJJYOYISQODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3O2P/c20-14(11-22)18-8-9-19(10-13-4-2-1-3-5-13)16(12-18)6-7-17-15(16)21/h1-5H,6-12,22H2,(H,17,21).
What are the key properties of 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one?
6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one has a molecular weight of 319.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one is sourced from PubChem (CID 170035762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).