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

C15H22ClN3O — CID 61421322

IUPACN-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-11-5-7-19(8-6-11)10-15(20)18-14-4-3-12(17)9-13(14)16/h3-4,9,11H,2,5-8,10,17H2,1H3,(H,18,20)
InChIKeyQGQGVVNJHHYXLX-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.98
Rot. Bonds4

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

N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide (PubChem CID 61421322) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
PubChem CID61421322
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-11-5-7-19(8-6-11)10-15(20)18-14-4-3-12(17)9-13(14)16/h3-4,9,11H,2,5-8,10,17H2,1H3,(H,18,20)
InChIKeyQGQGVVNJHHYXLX-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531130
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide (CID 61421322) is N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide is CCC1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide?
The InChIKey is QGQGVVNJHHYXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-11-5-7-19(8-6-11)10-15(20)18-14-4-3-12(17)9-13(14)16/h3-4,9,11H,2,5-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.98, 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)acetamide is sourced from PubChem (CID 61421322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).