3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C22H35N5O3 — CID 50779385

IUPAC3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCN(CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C22H35N5O3/c1-4-25(5-2)15-16-27(12-9-21(29)26-13-10-23-11-14-26)22(30)19-7-6-8-20(17-19)24-18(3)28/h6-8,17,23H,4-5,9-16H2,1-3H3,(H,24,28)
InChIKeyWBVIYRCAWKRLQJ-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.25
Rot. Bonds10

About 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779385) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779385
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Name3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCN(CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C22H35N5O3/c1-4-25(5-2)15-16-27(12-9-21(29)26-13-10-23-11-14-26)22(30)19-7-6-8-20(17-19)24-18(3)28/h6-8,17,23H,4-5,9-16H2,1-3H3,(H,24,28)
InChIKeyWBVIYRCAWKRLQJ-UHFFFAOYSA-N
XLogP1.25
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323117
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779658
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
3-bromo-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779638
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779385) is 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CCN(CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is WBVIYRCAWKRLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-4-25(5-2)15-16-27(12-9-21(29)26-13-10-23-11-14-26)22(30)19-7-6-8-20(17-19)24-18(3)28/h6-8,17,23H,4-5,9-16H2,1-3H3,(H,24,28).
What are the key properties of 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 417.55 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).