2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide

C21H26FN3O — CID 120596808

IUPAC2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C21H26FN3O/c1-15-13-17(22)10-11-19(15)25-12-6-9-18(14-25)24-20(26)21(2,23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14,23H2,1-2H3,(H,24,26)
InChIKeyPKONOLXEBAOYMT-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide (PubChem CID 120596808) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
PubChem CID120596808
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C21H26FN3O/c1-15-13-17(22)10-11-19(15)25-12-6-9-18(14-25)24-20(26)21(2,23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14,23H2,1-2H3,(H,24,26)
InChIKeyPKONOLXEBAOYMT-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide (CID 120596808) is 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide is Cc1cc(F)ccc1N1CCCC(NC(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide?
The InChIKey is PKONOLXEBAOYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-13-17(22)10-11-19(15)25-12-6-9-18(14-25)24-20(26)21(2,23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14,23H2,1-2H3,(H,24,26).
What are the key properties of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide?
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 120596808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).