N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide

C17H27N3O — CID 83052120

IUPACN-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
SMILESCCCC1CCCCN1CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H27N3O/c1-2-6-16-9-3-4-11-20(16)12-10-17(21)19-15-8-5-7-14(18)13-15/h5,7-8,13,16H,2-4,6,9-12,18H2,1H3,(H,19,21)
InChIKeyFWNXSRBSBXRNKY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds6

About N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide

N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide (PubChem CID 83052120) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
PubChem CID83052120
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
SMILESCCCC1CCCCN1CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H27N3O/c1-2-6-16-9-3-4-11-20(16)12-10-17(21)19-15-8-5-7-14(18)13-15/h5,7-8,13,16H,2-4,6,9-12,18H2,1H3,(H,19,21)
InChIKeyFWNXSRBSBXRNKY-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
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)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
CID 83052500
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
CID 83052129

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide (CID 83052120) is N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide is CCCC1CCCCN1CCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide?
The InChIKey is FWNXSRBSBXRNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-6-16-9-3-4-11-20(16)12-10-17(21)19-15-8-5-7-14(18)13-15/h5,7-8,13,16H,2-4,6,9-12,18H2,1H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide?
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.25, 6 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-propylpiperidin-1-yl)propanamide is sourced from PubChem (CID 83052120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).