N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide

C17H27N3O — CID 16783001

IUPACN-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CC(C)CC(C)C1
InChIInChI=1S/C17H27N3O/c1-12-8-13(2)11-20(10-12)7-6-17(21)19-16-5-4-15(18)9-14(16)3/h4-5,9,12-13H,6-8,10-11,18H2,1-3H3,(H,19,21)
InChIKeyBBEOMZNLVVYMSW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.88
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide

N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 16783001) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID16783001
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CC(C)CC(C)C1
InChIInChI=1S/C17H27N3O/c1-12-8-13(2)11-20(10-12)7-6-17(21)19-16-5-4-15(18)9-14(16)3/h4-5,9,12-13H,6-8,10-11,18H2,1-3H3,(H,19,21)
InChIKeyBBEOMZNLVVYMSW-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.88
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

N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
CID 63103700
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62491301
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide (CID 16783001) is N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide is Cc1cc(N)ccc1NC(=O)CCN1CC(C)CC(C)C1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is BBEOMZNLVVYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-8-13(2)11-20(10-12)7-6-17(21)19-16-5-4-15(18)9-14(16)3/h4-5,9,12-13H,6-8,10-11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16783001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).