2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one

C22H26N2O — CID 134076362

IUPAC2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2CN(Cc3ccc(-c4ccccc4)cc3)C2C1
InChIInChI=1S/C22H26N2O/c1-16(2)22(25)24-14-20-13-23(21(20)15-24)12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20-21H,12-15H2,1-2H3
InChIKeyRVJGNXMCYVXVCN-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one

2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one (PubChem CID 134076362) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one
PubChem CID134076362
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2CN(Cc3ccc(-c4ccccc4)cc3)C2C1
InChIInChI=1S/C22H26N2O/c1-16(2)22(25)24-14-20-13-23(21(20)15-24)12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20-21H,12-15H2,1-2H3
InChIKeyRVJGNXMCYVXVCN-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylsulfonyl-6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 131662523
2-methyl-1-[2-(3-phenylpropanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 134071367
1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one
CID 134076360
2-(4-chlorophenyl)-1-[6-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]ethanone
CID 134075932
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
1-[6-[(4-chlorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-methoxypropan-1-one
CID 131640803
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
CID 131654480
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95160990
(2S)-1-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-aminopropan-1-one
CID 124593091
(2S)-1-[(4aS,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-aminopropan-1-one
CID 124689542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one (CID 134076362) is 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one is CC(C)C(=O)N1CC2CN(Cc3ccc(-c4ccccc4)cc3)C2C1.
What is the InChIKey of 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one?
The InChIKey is RVJGNXMCYVXVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16(2)22(25)24-14-20-13-23(21(20)15-24)12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20-21H,12-15H2,1-2H3.
What are the key properties of 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one?
2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one has a molecular weight of 334.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one is sourced from PubChem (CID 134076362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).