(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide

C16H24N4O2 — CID 9250096

IUPAC(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C16H24N4O2/c1-13(20-10-8-19(2)9-11-20)15(21)18-16(22)17-12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,17,18,21,22)/t13-/m0/s1
InChIKeyCIWWJXVMUAUDCQ-ZDUSSCGKSA-N
MW304.39 g/mol
LogP0.65
Rot. Bonds4

About (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide

(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 9250096) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID9250096
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C16H24N4O2/c1-13(20-10-8-19(2)9-11-20)15(21)18-16(22)17-12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,17,18,21,22)/t13-/m0/s1
InChIKeyCIWWJXVMUAUDCQ-ZDUSSCGKSA-N
XLogP0.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide 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

(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
N-(benzylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46630456
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
N-(benzylcarbamoyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 16618539
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide (CID 9250096) is (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide is C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C)CC1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is CIWWJXVMUAUDCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(20-10-8-19(2)9-11-20)15(21)18-16(22)17-12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,17,18,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide?
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9250096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).