3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride

C17H27Cl2N3O — CID 120612227

IUPAC3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H25N3O.2ClH/c18-16-4-2-1-3-13(16)5-8-17(21)19-14-9-11-20(12-10-14)15-6-7-15;;/h1-4,14-15H,5-12,18H2,(H,19,21);2*1H
InChIKeyROYYABYNVVZBSL-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.79
Rot. Bonds5

About 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride

3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 120612227) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID120612227
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H25N3O.2ClH/c18-16-4-2-1-3-13(16)5-8-17(21)19-14-9-11-20(12-10-14)15-6-7-15;;/h1-4,14-15H,5-12,18H2,(H,19,21);2*1H
InChIKeyROYYABYNVVZBSL-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.79
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

3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride (CID 120612227) is 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is ROYYABYNVVZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c18-16-4-2-1-3-13(16)5-8-17(21)19-14-9-11-20(12-10-14)15-6-7-15;;/h1-4,14-15H,5-12,18H2,(H,19,21);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride?
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120612227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).