N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide

C15H23ClN4O — CID 114537216

IUPACN-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(N)cc2Cl)CC(C)N1C
InChIInChI=1S/C15H23ClN4O/c1-10-7-20(8-11(2)19(10)3)9-15(21)18-14-5-4-12(17)6-13(14)16/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,21)
InChIKeyMRBJVNRSGZSTSN-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.89
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide (PubChem CID 114537216) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
PubChem CID114537216
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(N)cc2Cl)CC(C)N1C
InChIInChI=1S/C15H23ClN4O/c1-10-7-20(8-11(2)19(10)3)9-15(21)18-14-5-4-12(17)6-13(14)16/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,21)
InChIKeyMRBJVNRSGZSTSN-UHFFFAOYSA-N
XLogP1.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531130
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-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
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-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64837547
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79993013

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide (CID 114537216) is N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide is CC1CN(CC(=O)Nc2ccc(N)cc2Cl)CC(C)N1C.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide?
The InChIKey is MRBJVNRSGZSTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-10-7-20(8-11(2)19(10)3)9-15(21)18-14-5-4-12(17)6-13(14)16/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide has a molecular weight of 310.83 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 114537216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).