2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

C16H25N3O — CID 107162880

IUPAC2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-16(6-8-19(2)9-7-16)12-18-15(20)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12,17H2,1-2H3,(H,18,20)
InChIKeyZXRWISKAKZKJBV-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.66
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (PubChem CID 107162880) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
PubChem CID107162880
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-16(6-8-19(2)9-7-16)12-18-15(20)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12,17H2,1-2H3,(H,18,20)
InChIKeyZXRWISKAKZKJBV-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.66
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

2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107162879
2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162906
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162922

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (CID 107162880) is 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is CN1CCC(C)(CNC(=O)Cc2cccc(N)c2)CC1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The InChIKey is ZXRWISKAKZKJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(6-8-19(2)9-7-16)12-18-15(20)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 107162880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).