N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid

C23H27FN2O5 — CID 651305

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
SMILESCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H25FN2O.C2H2O4/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18;3-1(4)2(5)6/h2-10,19H,11-16H2,1H3;(H,3,4)(H,5,6)
InChIKeyZIAISTBIERCXLF-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.85
Rot. Bonds5

About N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid

N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid (PubChem CID 651305) has the molecular formula C23H27FN2O5 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
PubChem CID651305
Molecular FormulaC23H27FN2O5
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
SMILESCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H25FN2O.C2H2O4/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18;3-1(4)2(5)6/h2-10,19H,11-16H2,1H3;(H,3,4)(H,5,6)
InChIKeyZIAISTBIERCXLF-UHFFFAOYSA-N
XLogP2.85
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid (CID 651305) is N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid is CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is ZIAISTBIERCXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O.C2H2O4/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18;3-1(4)2(5)6/h2-10,19H,11-16H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 430.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 651305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).