N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide

C16H25N3O2 — CID 106585961

IUPACN-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
SMILESCOCC1CCCN(CC(=O)N(C)c2ccc(N)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-18(15-7-5-14(17)6-8-15)16(20)11-19-9-3-4-13(10-19)12-21-2/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyATHKFPHQAWYRJV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds5

About N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide

N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 106585961) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID106585961
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
SMILESCOCC1CCCN(CC(=O)N(C)c2ccc(N)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-18(15-7-5-14(17)6-8-15)16(20)11-19-9-3-4-13(10-19)12-21-2/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyATHKFPHQAWYRJV-UHFFFAOYSA-N
XLogP1.59
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide (CID 106585961) is N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide is COCC1CCCN(CC(=O)N(C)c2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is ATHKFPHQAWYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(15-7-5-14(17)6-8-15)16(20)11-19-9-3-4-13(10-19)12-21-2/h5-8,13H,3-4,9-12,17H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide?
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 106585961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).