N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide

C22H32N4O3 — CID 55567018

IUPACN-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H32N4O3/c1-23(22(29)19-9-5-4-6-10-19)17-20(27)26-15-13-24(14-16-26)18-21(28)25-11-7-2-3-8-12-25/h4-6,9-10H,2-3,7-8,11-18H2,1H3
InChIKeyQTDJSCIVSYJVGL-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.31
Rot. Bonds5

About N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide

N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide (PubChem CID 55567018) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
PubChem CID55567018
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H32N4O3/c1-23(22(29)19-9-5-4-6-10-19)17-20(27)26-15-13-24(14-16-26)18-21(28)25-11-7-2-3-8-12-25/h4-6,9-10H,2-3,7-8,11-18H2,1H3
InChIKeyQTDJSCIVSYJVGL-UHFFFAOYSA-N
XLogP1.31
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 35708070
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-(azepan-1-yl)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]ethanone
CID 56796763
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17392035
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide (CID 55567018) is N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is QTDJSCIVSYJVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-23(22(29)19-9-5-4-6-10-19)17-20(27)26-15-13-24(14-16-26)18-21(28)25-11-7-2-3-8-12-25/h4-6,9-10H,2-3,7-8,11-18H2,1H3.
What are the key properties of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 55567018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).