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

C15H23ClN4O — CID 63605035

IUPACN-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1(C)C
InChIInChI=1S/C15H23ClN4O/c1-15(2)10-20(7-6-19(15)3)9-14(21)18-11-4-5-12(16)13(17)8-11/h4-5,8H,6-7,9-10,17H2,1-3H3,(H,18,21)
InChIKeyGDHIKDDMGHIMHR-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.89
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide (PubChem CID 63605035) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
PubChem CID63605035
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1(C)C
InChIInChI=1S/C15H23ClN4O/c1-15(2)10-20(7-6-19(15)3)9-14(21)18-11-4-5-12(16)13(17)8-11/h4-5,8H,6-7,9-10,17H2,1-3H3,(H,18,21)
InChIKeyGDHIKDDMGHIMHR-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-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide
CID 122156420
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
CID 28786787
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-cyanophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63609880
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
N-(3-amino-4-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 64577650
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3,4-dichlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305044
N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide (CID 63605035) is N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1(C)C.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide?
The InChIKey is GDHIKDDMGHIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-15(2)10-20(7-6-19(15)3)9-14(21)18-11-4-5-12(16)13(17)8-11/h4-5,8H,6-7,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide?
N-(3-amino-4-chlorophenyl)-2-(3,3,4-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-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 63605035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).