3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide

C20H25N3O — CID 120612685

IUPAC3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c21-19-9-5-4-6-16(19)10-11-20(24)22-17-12-14-23(15-13-17)18-7-2-1-3-8-18/h1-9,17H,10-15,21H2,(H,22,24)
InChIKeyOXHHNIAONBOENF-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide

3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide (PubChem CID 120612685) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
PubChem CID120612685
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c21-19-9-5-4-6-16(19)10-11-20(24)22-17-12-14-23(15-13-17)18-7-2-1-3-8-18/h1-9,17H,10-15,21H2,(H,22,24)
InChIKeyOXHHNIAONBOENF-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
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-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
CID 120613181
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide (CID 120612685) is 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide is Nc1ccccc1CCC(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
The InChIKey is OXHHNIAONBOENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-19-9-5-4-6-16(19)10-11-20(24)22-17-12-14-23(15-13-17)18-7-2-1-3-8-18/h1-9,17H,10-15,21H2,(H,22,24).
What are the key properties of 3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 2.99, 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-phenylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120612685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).