2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride

C17H24Cl3N3O2 — CID 119743474

IUPAC2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.Cl
InChIInChI=1S/C17H23Cl2N3O2.ClH/c1-3-7-17(2,20)16(24)22-10-8-21(9-11-22)15(23)14-12(18)5-4-6-13(14)19;/h4-6H,3,7-11,20H2,1-2H3;1H
InChIKeyZHMDVVDKBPUPMO-UHFFFAOYSA-N
MW408.76 g/mol
LogP3.22
Rot. Bonds4

About 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride

2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride (PubChem CID 119743474) has the molecular formula C17H24Cl3N3O2 and a molecular weight of 408.76 g/mol. Its IUPAC name is 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
PubChem CID119743474
Molecular FormulaC17H24Cl3N3O2
Molecular Weight408.76 g/mol
Exact Mass407.09
IUPAC Name2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.Cl
InChIInChI=1S/C17H23Cl2N3O2.ClH/c1-3-7-17(2,20)16(24)22-10-8-21(9-11-22)15(23)14-12(18)5-4-6-13(14)19;/h4-6H,3,7-11,20H2,1-2H3;1H
InChIKeyZHMDVVDKBPUPMO-UHFFFAOYSA-N
XLogP3.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704901
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119747881
2-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704945
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
2-amino-2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride
CID 119680795
2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119743462
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119787425
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride (CID 119743474) is 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
The InChIKey is ZHMDVVDKBPUPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2.ClH/c1-3-7-17(2,20)16(24)22-10-8-21(9-11-22)15(23)14-12(18)5-4-6-13(14)19;/h4-6H,3,7-11,20H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride?
2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride has a molecular weight of 408.76 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119743474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).