N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide

C17H27N3O — CID 114592196

IUPACN-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)C(C)N(CCC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C17H27N3O/c1-12-9-13(2)14(3)20(11-12)8-7-17(21)19-16-6-4-5-15(18)10-16/h4-6,10,12-14H,7-9,11,18H2,1-3H3,(H,19,21)
InChIKeyPMUSVOPNJPOITG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds4

About N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide

N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide (PubChem CID 114592196) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
PubChem CID114592196
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)C(C)N(CCC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C17H27N3O/c1-12-9-13(2)14(3)20(11-12)8-7-17(21)19-16-6-4-5-15(18)10-16/h4-6,10,12-14H,7-9,11,18H2,1-3H3,(H,19,21)
InChIKeyPMUSVOPNJPOITG-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592180
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
3-(3-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114591852
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide (CID 114592196) is N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide is CC1CC(C)C(C)N(CCC(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The InChIKey is PMUSVOPNJPOITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-9-13(2)14(3)20(11-12)8-7-17(21)19-16-6-4-5-15(18)10-16/h4-6,10,12-14H,7-9,11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 114592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).