3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide

C17H27N3O — CID 120612535

IUPAC3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
SMILESCN1CCCC(CN(C)C(=O)CCc2ccccc2N)C1
InChIInChI=1S/C17H27N3O/c1-19-11-5-6-14(12-19)13-20(2)17(21)10-9-15-7-3-4-8-16(15)18/h3-4,7-8,14H,5-6,9-13,18H2,1-2H3
InChIKeyMGIYSRHIIIHVKG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.00
Rot. Bonds5

About 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide

3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide (PubChem CID 120612535) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
PubChem CID120612535
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
SMILESCN1CCCC(CN(C)C(=O)CCc2ccccc2N)C1
InChIInChI=1S/C17H27N3O/c1-19-11-5-6-14(12-19)13-20(2)17(21)10-9-15-7-3-4-8-16(15)18/h3-4,7-8,14H,5-6,9-13,18H2,1-2H3
InChIKeyMGIYSRHIIIHVKG-UHFFFAOYSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide (CID 120612535) is 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide is CN1CCCC(CN(C)C(=O)CCc2ccccc2N)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide?
The InChIKey is MGIYSRHIIIHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-11-5-6-14(12-19)13-20(2)17(21)10-9-15-7-3-4-8-16(15)18/h3-4,7-8,14H,5-6,9-13,18H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide?
3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120612535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).