(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone

C13H18ClN3O — CID 16783879

IUPAC(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(15)3-4-12(11)14/h3-4,9H,2,5-8,15H2,1H3
InChIKeyQJXCHCAJYUWAEY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.70
Rot. Bonds2

About (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone

(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 16783879) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID16783879
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(15)3-4-12(11)14/h3-4,9H,2,5-8,15H2,1H3
InChIKeyQJXCHCAJYUWAEY-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone 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

(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 114921648
(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 170995564
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210632
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 28591390
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone (CID 16783879) is (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is QJXCHCAJYUWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(15)3-4-12(11)14/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 16783879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).