2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride

C17H24Cl3N3O2 — CID 119720691

IUPAC2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C17H23Cl2N3O2.ClH/c1-3-11(2)15(20)17(24)22-9-7-21(8-10-22)16(23)12-5-4-6-13(18)14(12)19;/h4-6,11,15H,3,7-10,20H2,1-2H3;1H
InChIKeyIVHJFBKSPBLSHB-UHFFFAOYSA-N
MW408.76 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride

2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride (PubChem CID 119720691) has the molecular formula C17H24Cl3N3O2 and a molecular weight of 408.76 g/mol. Its IUPAC name is 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
PubChem CID119720691
Molecular FormulaC17H24Cl3N3O2
Molecular Weight408.76 g/mol
Exact Mass407.09
IUPAC Name2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C17H23Cl2N3O2.ClH/c1-3-11(2)15(20)17(24)22-9-7-21(8-10-22)16(23)12-5-4-6-13(18)14(12)19;/h4-6,11,15H,3,7-10,20H2,1-2H3;1H
InChIKeyIVHJFBKSPBLSHB-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119743462
(2S,3S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 84597263
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 119287873
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate
CID 95338828
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride (CID 119720691) is 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride?
The InChIKey is IVHJFBKSPBLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2.ClH/c1-3-11(2)15(20)17(24)22-9-7-21(8-10-22)16(23)12-5-4-6-13(18)14(12)19;/h4-6,11,15H,3,7-10,20H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride?
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride has a molecular weight of 408.76 g/mol, XLogP of 3.07, 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-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119720691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).