N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide

C16H21N3O2 — CID 119634838

IUPACN-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC3CCC(C2)N3)cc1
InChIInChI=1S/C16H21N3O2/c1-11(20)17-13-4-2-12(3-5-13)16(21)19-9-8-14-6-7-15(10-19)18-14/h2-5,14-15,18H,6-10H2,1H3,(H,17,20)
InChIKeyBCSNVEYXZYSNGW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.61
Rot. Bonds2

About N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide

N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide (PubChem CID 119634838) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
PubChem CID119634838
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC3CCC(C2)N3)cc1
InChIInChI=1S/C16H21N3O2/c1-11(20)17-13-4-2-12(3-5-13)16(21)19-9-8-14-6-7-15(10-19)18-14/h2-5,14-15,18H,6-10H2,1H3,(H,17,20)
InChIKeyBCSNVEYXZYSNGW-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide 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

3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-fluorophenyl)methanone;hydrochloride
CID 86780037
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methylsulfonylphenyl)methanone
CID 81485611
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3,5-dimethylphenyl)methanone
CID 81482499
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-fluoro-3-methylphenyl)methanone
CID 99596896
N-[4-[[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119638514
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide (CID 119634838) is N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC3CCC(C2)N3)cc1.
What is the InChIKey of N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide?
The InChIKey is BCSNVEYXZYSNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)17-13-4-2-12(3-5-13)16(21)19-9-8-14-6-7-15(10-19)18-14/h2-5,14-15,18H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide?
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide is sourced from PubChem (CID 119634838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).