4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C22H33N5O3 — CID 92501974

IUPAC4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H33N5O3/c1-3-25-12-4-5-20(25)15-27(16-21(29)26-13-10-23-11-14-26)22(30)18-6-8-19(9-7-18)24-17(2)28/h6-9,20,23H,3-5,10-16H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyMXAVENLRLIPHRM-HXUWFJFHSA-N
MW415.54 g/mol
LogP1.00
Rot. Bonds7

About 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 92501974) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID92501974
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H33N5O3/c1-3-25-12-4-5-20(25)15-27(16-21(29)26-13-10-23-11-14-26)22(30)18-6-8-19(9-7-18)24-17(2)28/h6-9,20,23H,3-5,10-16H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyMXAVENLRLIPHRM-HXUWFJFHSA-N
XLogP1.00
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide 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-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323117
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078074
4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332945
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078088
4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333123
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323120
4-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 94078473
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788467
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788524
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 94078464
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 94078466

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 92501974) is 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is MXAVENLRLIPHRM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-3-25-12-4-5-20(25)15-27(16-21(29)26-13-10-23-11-14-26)22(30)18-6-8-19(9-7-18)24-17(2)28/h6-9,20,23H,3-5,10-16H2,1-2H3,(H,24,28)/t20-/m1/s1.
What are the key properties of 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 92501974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).