2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone

C18H20ClN3O — CID 83971734

IUPAC2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
SMILESNCC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H20ClN3O/c19-15-2-1-3-17(12-15)22-10-8-21(9-11-22)16-6-4-14(5-7-16)18(23)13-20/h1-7,12H,8-11,13,20H2
InChIKeyTUDKYHSBMSNACP-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone

2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 83971734) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
PubChem CID83971734
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
SMILESNCC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H20ClN3O/c19-15-2-1-3-17(12-15)22-10-8-21(9-11-22)16-6-4-14(5-7-16)18(23)13-20/h1-7,12H,8-11,13,20H2
InChIKeyTUDKYHSBMSNACP-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 110453059
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
(2S)-4-(4-tert-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 1206928
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone (CID 83971734) is 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone is NCC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is TUDKYHSBMSNACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-2-1-3-17(12-15)22-10-8-21(9-11-22)16-6-4-14(5-7-16)18(23)13-20/h1-7,12H,8-11,13,20H2.
What are the key properties of 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 329.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 83971734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).