N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide

C21H23Cl2N3O2 — CID 46444763

IUPACN-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O2/c1-15(20(27)24-14-16-5-3-2-4-6-16)25-9-11-26(12-10-25)21(28)18-8-7-17(22)13-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)
InChIKeyMTTFYBZJUZUEPV-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.46
Rot. Bonds5

About N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide

N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide (PubChem CID 46444763) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide
PubChem CID46444763
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O2/c1-15(20(27)24-14-16-5-3-2-4-6-16)25-9-11-26(12-10-25)21(28)18-8-7-17(22)13-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)
InChIKeyMTTFYBZJUZUEPV-UHFFFAOYSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46445403
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46043603
(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 34894788
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide (CID 46444763) is N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide is CC(C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide?
The InChIKey is MTTFYBZJUZUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-15(20(27)24-14-16-5-3-2-4-6-16)25-9-11-26(12-10-25)21(28)18-8-7-17(22)13-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide?
N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide has a molecular weight of 420.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46444763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).