N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide

C17H23N3O3 — CID 22243702

IUPACN-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN3CCC2CC3)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-13(3-5-15)17(22)18-12-16(21)20-11-10-19-8-6-14(20)7-9-19/h2-5,14H,6-12H2,1H3,(H,18,22)
InChIKeyIXECJFYIQMUQAU-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.73
Rot. Bonds4

About N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide

N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 22243702) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
PubChem CID22243702
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN3CCC2CC3)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-13(3-5-15)17(22)18-12-16(21)20-11-10-19-8-6-14(20)7-9-19/h2-5,14H,6-12H2,1H3,(H,18,22)
InChIKeyIXECJFYIQMUQAU-UHFFFAOYSA-N
XLogP0.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
CID 10355250
(4-methoxyphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45272638
4-bromo-N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzamide
CID 112799127
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
4-(difluoromethoxy)-N-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 25479486
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
CID 6988242
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788846
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345629
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide (CID 22243702) is N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N2CCN3CCC2CC3)cc1.
What is the InChIKey of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is IXECJFYIQMUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-4-2-13(3-5-15)17(22)18-12-16(21)20-11-10-19-8-6-14(20)7-9-19/h2-5,14H,6-12H2,1H3,(H,18,22).
What are the key properties of N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 317.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 22243702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).