3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide

C17H27N3O — CID 107272754

IUPAC3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C17H27N3O/c18-16-8-3-2-7-15(16)9-10-17(21)19-11-6-14-20-12-4-1-5-13-20/h2-3,7-8H,1,4-6,9-14,18H2,(H,19,21)
InChIKeyCRDZXOLIGHXXIJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.19
Rot. Bonds7

About 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide

3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 107272754) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID107272754
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C17H27N3O/c18-16-8-3-2-7-15(16)9-10-17(21)19-11-6-14-20-12-4-1-5-13-20/h2-3,7-8H,1,4-6,9-14,18H2,(H,19,21)
InChIKeyCRDZXOLIGHXXIJ-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
CID 107329565
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide (CID 107272754) is 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide is Nc1ccccc1CCC(=O)NCCCN1CCCCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is CRDZXOLIGHXXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-16-8-3-2-7-15(16)9-10-17(21)19-11-6-14-20-12-4-1-5-13-20/h2-3,7-8H,1,4-6,9-14,18H2,(H,19,21).
What are the key properties of 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 107272754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).