2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone

C19H19Cl2N3O2 — CID 119287873

IUPAC2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESNC(C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-8-4-7-14(16(15)21)18(25)23-9-11-24(12-10-23)19(26)17(22)13-5-2-1-3-6-13/h1-8,17H,9-12,22H2
InChIKeyHBWISXURXVUSIG-UHFFFAOYSA-N
MW392.29 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone

2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 119287873) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID119287873
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESNC(C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-8-4-7-14(16(15)21)18(25)23-9-11-24(12-10-23)19(26)17(22)13-5-2-1-3-6-13/h1-8,17H,9-12,22H2
InChIKeyHBWISXURXVUSIG-UHFFFAOYSA-N
XLogP2.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119720691
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667526
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 55800119
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone (CID 119287873) is 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone is NC(C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is HBWISXURXVUSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-15-8-4-7-14(16(15)21)18(25)23-9-11-24(12-10-23)19(26)17(22)13-5-2-1-3-6-13/h1-8,17H,9-12,22H2.
What are the key properties of 2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone?
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 392.29 g/mol, XLogP of 2.98, 3 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]-2-phenylethanone is sourced from PubChem (CID 119287873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).