1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone

C14H18N2O2 — CID 11608465

IUPAC1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN3CCC2C3)cc1
InChIInChI=1S/C14H18N2O2/c1-18-13-4-2-11(3-5-13)14(17)16-9-8-15-7-6-12(16)10-15/h2-5,12H,6-10H2,1H3
InChIKeyBBBGZUNBNLXJDW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds2

About 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone

1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone (PubChem CID 11608465) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
PubChem CID11608465
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN3CCC2C3)cc1
InChIInChI=1S/C14H18N2O2/c1-18-13-4-2-11(3-5-13)14(17)16-9-8-15-7-6-12(16)10-15/h2-5,12H,6-10H2,1H3
InChIKeyBBBGZUNBNLXJDW-UHFFFAOYSA-N
XLogP1.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
CID 10355250
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
(4-methoxyphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45272638
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
CID 22243702
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1,7-diazabicyclo[4.3.1]decan-7-yl-[3-methoxy-4-(2H-tetrazol-5-yl)phenyl]methanone
CID 167901629
(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316317
[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone
CID 145118312
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone (CID 11608465) is 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN3CCC2C3)cc1.
What is the InChIKey of 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone?
The InChIKey is BBBGZUNBNLXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-4-2-11(3-5-13)14(17)16-9-8-15-7-6-12(16)10-15/h2-5,12H,6-10H2,1H3.
What are the key properties of 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone?
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11608465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).