2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide

C13H17Cl2N3O — CID 54891363

IUPAC2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(N)=O)(c1cc(Cl)ccc1Cl)N1CCNCC1
InChIInChI=1S/C13H17Cl2N3O/c1-13(12(16)19,18-6-4-17-5-7-18)10-8-9(14)2-3-11(10)15/h2-3,8,17H,4-7H2,1H3,(H2,16,19)
InChIKeyWCLWORLHPXQNJO-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.60
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide

2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide (PubChem CID 54891363) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide
PubChem CID54891363
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(N)=O)(c1cc(Cl)ccc1Cl)N1CCNCC1
InChIInChI=1S/C13H17Cl2N3O/c1-13(12(16)19,18-6-4-17-5-7-18)10-8-9(14)2-3-11(10)15/h2-3,8,17H,4-7H2,1H3,(H2,16,19)
InChIKeyWCLWORLHPXQNJO-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599238
2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
CID 54891219
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
CID 54895358
2-(2,4-dichloro-5-fluorophenyl)-2-piperazin-1-ylpropanoic acid
CID 61002485
2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992391
2-(4-ethoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992132
2-(1,3-benzodioxol-5-yl)-2-(1,4-diazepan-1-yl)propanamide
CID 60997169
3-(azepan-1-yl)-3-(2,5-dichlorophenyl)butanoic acid
CID 64527529
3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64526651
2-(1,4-diazepan-1-yl)-2-(2,5-difluorophenyl)propanoic acid
CID 60994245
5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 62495215

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide (CID 54891363) is 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide is CC(C(N)=O)(c1cc(Cl)ccc1Cl)N1CCNCC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is WCLWORLHPXQNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-13(12(16)19,18-6-4-17-5-7-18)10-8-9(14)2-3-11(10)15/h2-3,8,17H,4-7H2,1H3,(H2,16,19).
What are the key properties of 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide?
2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 302.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 54891363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).