N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide

C16H24ClN3O — CID 61421371

IUPACN-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-12-6-8-20(9-7-12)11(2)16(21)19-15-5-4-13(18)10-14(15)17/h4-5,10-12H,3,6-9,18H2,1-2H3,(H,19,21)
InChIKeyQIIDIUUZFANJDR-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.37
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide

N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide (PubChem CID 61421371) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
PubChem CID61421371
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-12-6-8-20(9-7-12)11(2)16(21)19-15-5-4-13(18)10-14(15)17/h4-5,10-12H,3,6-9,18H2,1-2H3,(H,19,21)
InChIKeyQIIDIUUZFANJDR-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-chlorophenyl)-2-(4-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-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102778011
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 136524069

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide (CID 61421371) is N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide is CCC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)CC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
The InChIKey is QIIDIUUZFANJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-12-6-8-20(9-7-12)11(2)16(21)19-15-5-4-13(18)10-14(15)17/h4-5,10-12H,3,6-9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 61421371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).