(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C21H24N2O — CID 119637270

IUPAC(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESO=C(c1ccccc1Cc1ccccc1)N1CCC2CCC(C1)N2
InChIInChI=1S/C21H24N2O/c24-21(23-13-12-18-10-11-19(15-23)22-18)20-9-5-4-8-17(20)14-16-6-2-1-3-7-16/h1-9,18-19,22H,10-15H2
InChIKeyGQGYNHIJKMHDEU-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.24
Rot. Bonds3

About (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 119637270) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID119637270
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESO=C(c1ccccc1Cc1ccccc1)N1CCC2CCC(C1)N2
InChIInChI=1S/C21H24N2O/c24-21(23-13-12-18-10-11-19(15-23)22-18)20-9-5-4-8-17(20)14-16-6-2-1-3-7-16/h1-9,18-19,22H,10-15H2
InChIKeyGQGYNHIJKMHDEU-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzenesulfonylmethyl)phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635281
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
(2-bromo-3-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107983220
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-nitrophenyl)methanone
CID 81485768
[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 119637270) is (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is O=C(c1ccccc1Cc1ccccc1)N1CCC2CCC(C1)N2.
What is the InChIKey of (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is GQGYNHIJKMHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(23-13-12-18-10-11-19(15-23)22-18)20-9-5-4-8-17(20)14-16-6-2-1-3-7-16/h1-9,18-19,22H,10-15H2.
What are the key properties of (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 119637270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).