(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one

C16H21N3O2 — CID 168833923

IUPAC(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one
SMILESCC(=O)N1CCN(Cc2ccccc2)[C@]2(CCNC2=O)C1
InChIInChI=1S/C16H21N3O2/c1-13(20)18-9-10-19(11-14-5-3-2-4-6-14)16(12-18)7-8-17-15(16)21/h2-6H,7-12H2,1H3,(H,17,21)/t16-/m1/s1
InChIKeyPBOQGZMYJFTPPW-MRXNPFEDSA-N
MW287.36 g/mol
LogP0.61
Rot. Bonds2

About (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one

(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one (PubChem CID 168833923) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one
PubChem CID168833923
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one
SMILESCC(=O)N1CCN(Cc2ccccc2)[C@]2(CCNC2=O)C1
InChIInChI=1S/C16H21N3O2/c1-13(20)18-9-10-19(11-14-5-3-2-4-6-14)16(12-18)7-8-17-15(16)21/h2-6H,7-12H2,1H3,(H,17,21)/t16-/m1/s1
InChIKeyPBOQGZMYJFTPPW-MRXNPFEDSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-9-(2-phosphanylacetyl)-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035762
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
6-acetyl-3-benzyl-1,3,6-triazonan-2-one
CID 170035651
8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 134794909
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
CID 128985646
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119878673
1-benzyl-9-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495875
1-benzyl-9-(4-fluorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495869
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160

Frequently Asked Questions

What is the IUPAC name of (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one (CID 168833923) is (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one is CC(=O)N1CCN(Cc2ccccc2)[C@]2(CCNC2=O)C1.
What is the InChIKey of (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one?
The InChIKey is PBOQGZMYJFTPPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(20)18-9-10-19(11-14-5-3-2-4-6-14)16(12-18)7-8-17-15(16)21/h2-6H,7-12H2,1H3,(H,17,21)/t16-/m1/s1.
What are the key properties of (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one?
(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one has a molecular weight of 287.36 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one is sourced from PubChem (CID 168833923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).