N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide

C15H22ClN3O — CID 43584042

IUPACN-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-2-11-4-3-7-19(9-11)10-15(20)18-14-8-12(17)5-6-13(14)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyQVUXANBHKILDOD-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.98
Rot. Bonds4

About N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide

N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide (PubChem CID 43584042) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
PubChem CID43584042
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-2-11-4-3-7-19(9-11)10-15(20)18-14-8-12(17)5-6-13(14)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyQVUXANBHKILDOD-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

1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(5-amino-2-chlorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)acetamide
CID 63156744
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide (CID 43584042) is N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide is CCC1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The InChIKey is QVUXANBHKILDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-11-4-3-7-19(9-11)10-15(20)18-14-8-12(17)5-6-13(14)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(3-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-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43584042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).