2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one

C17H24N2O — CID 79174234

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H24N2O/c1-13(17(20)14-6-4-3-5-7-14)19-11-10-15-8-9-16(12-19)18(15)2/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyJCPKNHLGLOTMLO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.43
Rot. Bonds3

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one (PubChem CID 79174234) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
PubChem CID79174234
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H24N2O/c1-13(17(20)14-6-4-3-5-7-14)19-11-10-15-8-9-16(12-19)18(15)2/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyJCPKNHLGLOTMLO-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82864087
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
CID 79174920
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
CID 43227828
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
CID 117067726
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one (CID 79174234) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one?
The InChIKey is JCPKNHLGLOTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(17(20)14-6-4-3-5-7-14)19-11-10-15-8-9-16(12-19)18(15)2/h3-7,13,15-16H,8-12H2,1-2H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 79174234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).