1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one

C17H24N2O — CID 11666232

IUPAC1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CC(C1)N2CCCc1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-17(20)18-12-15-11-16(13-18)19(15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyALAQPTHDVAXFQL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.31
Rot. Bonds5

About 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one

1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one (PubChem CID 11666232) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
PubChem CID11666232
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CC(C1)N2CCCc1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-17(20)18-12-15-11-16(13-18)19(15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyALAQPTHDVAXFQL-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(3-propanoyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 11687841
1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 69451510
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159452
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
(1R,5S)-8-(4-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-one
CID 11777243
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
4-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 173151545
1-[6-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 11536806
4-[(3aS)-2-(3-phenylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-4-oxobutanamide
CID 173143227

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
The IUPAC name of 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one (CID 11666232) is 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
The canonical SMILES for 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one is CCC(=O)N1CC2CC(C1)N2CCCc1ccccc1.
What is the InChIKey of 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
The InChIKey is ALAQPTHDVAXFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-17(20)18-12-15-11-16(13-18)19(15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3.
What are the key properties of 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one is sourced from PubChem (CID 11666232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).