(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide

C15H19Cl2N3O2 — CID 2690225

IUPAC(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O2/c1-10(19-5-7-20(8-6-19)11(2)21)15(22)18-14-4-3-12(16)9-13(14)17/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKeyNZWWFQCJTXEAKK-JTQLQIEISA-N
MW344.24 g/mol
LogP2.48
Rot. Bonds3

About (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide

(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 2690225) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
PubChem CID2690225
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O2/c1-10(19-5-7-20(8-6-19)11(2)21)15(22)18-14-4-3-12(16)9-13(14)17/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKeyNZWWFQCJTXEAKK-JTQLQIEISA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
(2R)-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 9131167
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide (CID 2690225) is (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide is CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is NZWWFQCJTXEAKK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-10(19-5-7-20(8-6-19)11(2)21)15(22)18-14-4-3-12(16)9-13(14)17/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide?
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 344.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 2690225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).