N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

C16H26N4O — CID 62545494

IUPACN-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCc1c(N)cccc1NC(=O)CN(C)C1CCCN(C)C1
InChIInChI=1S/C16H26N4O/c1-12-14(17)7-4-8-15(12)18-16(21)11-20(3)13-6-5-9-19(2)10-13/h4,7-8,13H,5-6,9-11,17H2,1-3H3,(H,18,21)
InChIKeyFJSXQCRBDZRXJR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.54
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (PubChem CID 62545494) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
PubChem CID62545494
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCc1c(N)cccc1NC(=O)CN(C)C1CCCN(C)C1
InChIInChI=1S/C16H26N4O/c1-12-14(17)7-4-8-15(12)18-16(21)11-20(3)13-6-5-9-19(2)10-13/h4,7-8,13H,5-6,9-11,17H2,1-3H3,(H,18,21)
InChIKeyFJSXQCRBDZRXJR-UHFFFAOYSA-N
XLogP1.54
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.54
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-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545512
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide
CID 97072442
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(3-amino-2-methylphenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797087
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62546374
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547629
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (CID 62545494) is N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is Cc1c(N)cccc1NC(=O)CN(C)C1CCCN(C)C1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The InChIKey is FJSXQCRBDZRXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-14(17)7-4-8-15(12)18-16(21)11-20(3)13-6-5-9-19(2)10-13/h4,7-8,13H,5-6,9-11,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is sourced from PubChem (CID 62545494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).