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

C14H20ClN3O — CID 16789612

IUPAC(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-5-17-6-8-18(9-7-17)14(19)12-10-11(16)3-4-13(12)15/h3-4,10H,2,5-9,16H2,1H3
InChIKeyFHYWOGVBCSCHIR-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.09
Rot. Bonds3

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

(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 16789612) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID16789612
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-5-17-6-8-18(9-7-17)14(19)12-10-11(16)3-4-13(12)15/h3-4,10H,2,5-9,16H2,1H3
InChIKeyFHYWOGVBCSCHIR-UHFFFAOYSA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.09
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-propylpiperazin-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-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone
CID 166676837
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(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
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
[5-chloro-2-(methylamino)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 62171773
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone (CID 16789612) is (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is FHYWOGVBCSCHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-5-17-6-8-18(9-7-17)14(19)12-10-11(16)3-4-13(12)15/h3-4,10H,2,5-9,16H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.09, 3 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-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 16789612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).