1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone

C14H18N2O — CID 84793807

IUPAC1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CC3CC(C2)N3C)c1
InChIInChI=1S/C14H18N2O/c1-10(17)11-4-3-5-12(6-11)16-8-13-7-14(9-16)15(13)2/h3-6,13-14H,7-9H2,1-2H3
InChIKeySNUYYRMWMSKJOA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.78
Rot. Bonds2

About 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone

1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone (PubChem CID 84793807) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
PubChem CID84793807
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CC3CC(C2)N3C)c1
InChIInChI=1S/C14H18N2O/c1-10(17)11-4-3-5-12(6-11)16-8-13-7-14(9-16)15(13)2/h3-6,13-14H,7-9H2,1-2H3
InChIKeySNUYYRMWMSKJOA-UHFFFAOYSA-N
XLogP1.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone 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

3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzoic acid
CID 84795415
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
1-[4-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84793805
1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
CID 79671280
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
CID 144853416
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
2-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanamine
CID 84794845
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
1-(3-acetylphenyl)piperidine-3-carbonitrile
CID 117008107
1-[3-[2-(aminomethyl)aziridin-1-yl]phenyl]ethanone
CID 117010112
1-[3-[4-(methylamino)-1,3-dihydroisoindol-2-yl]phenyl]ethanone
CID 117006160

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone (CID 84793807) is 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone is CC(=O)c1cccc(N2CC3CC(C2)N3C)c1.
What is the InChIKey of 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone?
The InChIKey is SNUYYRMWMSKJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(17)11-4-3-5-12(6-11)16-8-13-7-14(9-16)15(13)2/h3-6,13-14H,7-9H2,1-2H3.
What are the key properties of 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone?
1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone has a molecular weight of 230.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone is sourced from PubChem (CID 84793807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).