(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide

C18H27N4O3+ — CID 8597347

IUPAC(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-19-17(24)14(2)20-16(23)13-21-9-11-22(12-10-21)18(25)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,19,24)(H,20,23)/p+1/t14-/m0/s1
InChIKeyPYWYFIOWLDRZIE-AWEZNQCLSA-O
MW347.44 g/mol
LogP-1.33
Rot. Bonds6

About (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide

(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide (PubChem CID 8597347) has the molecular formula C18H27N4O3+ and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
PubChem CID8597347
Molecular FormulaC18H27N4O3+
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-19-17(24)14(2)20-16(23)13-21-9-11-22(12-10-21)18(25)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,19,24)(H,20,23)/p+1/t14-/m0/s1
InChIKeyPYWYFIOWLDRZIE-AWEZNQCLSA-O
XLogP-1.33
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide 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

2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
methyl (2S,3R)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-3-methylpentanoate
CID 8597256
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9223403
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8597391
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9223397
(2R)-N-ethyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]propanamide
CID 8621880
(2R)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide
CID 8692700
(2R)-2-[[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethylpropanamide
CID 8797317
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
CID 7991243
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 9223461
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8597441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide (CID 8597347) is (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is PYWYFIOWLDRZIE-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H26N4O3/c1-3-19-17(24)14(2)20-16(23)13-21-9-11-22(12-10-21)18(25)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,19,24)(H,20,23)/p+1/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide?
(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 347.44 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8597347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).