N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide

C16H24ClN3O — CID 43266191

IUPACN-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H24ClN3O/c1-3-13-6-4-5-9-20(13)11(2)16(21)19-15-10-12(17)7-8-14(15)18/h7-8,10-11,13H,3-6,9,18H2,1-2H3,(H,19,21)
InChIKeyKQCYUALRLSEYTK-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.51
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide

N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide (PubChem CID 43266191) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
PubChem CID43266191
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H24ClN3O/c1-3-13-6-4-5-9-20(13)11(2)16(21)19-15-10-12(17)7-8-14(15)18/h7-8,10-11,13H,3-6,9,18H2,1-2H3,(H,19,21)
InChIKeyKQCYUALRLSEYTK-UHFFFAOYSA-N
XLogP3.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide 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

N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide (CID 43266191) is N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide is CCC1CCCCN1C(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide?
The InChIKey is KQCYUALRLSEYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-13-6-4-5-9-20(13)11(2)16(21)19-15-10-12(17)7-8-14(15)18/h7-8,10-11,13H,3-6,9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide?
N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43266191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).