N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide

C16H25N3O — CID 43375666

IUPACN-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
SMILESCC1CCCC(C)N1CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-12-5-4-6-13(2)19(12)11-16(20)18(3)15-9-7-14(17)8-10-15/h7-10,12-13H,4-6,11,17H2,1-3H3
InChIKeySHOJBPJUUIMJOR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.49
Rot. Bonds3

About N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide

N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide (PubChem CID 43375666) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
PubChem CID43375666
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
SMILESCC1CCCC(C)N1CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-12-5-4-6-13(2)19(12)11-16(20)18(3)15-9-7-14(17)8-10-15/h7-10,12-13H,4-6,11,17H2,1-3H3
InChIKeySHOJBPJUUIMJOR-UHFFFAOYSA-N
XLogP2.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
2-(2,5-dimethylpyrrolidin-1-yl)-N,N-dimethylacetamide
CID 126990033
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide
CID 79468372

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide (CID 43375666) is N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide is CC1CCCC(C)N1CC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is SHOJBPJUUIMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-4-6-13(2)19(12)11-16(20)18(3)15-9-7-14(17)8-10-15/h7-10,12-13H,4-6,11,17H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide?
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 275.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43375666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).