1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid

C23H27FN2O5 — CID 2903381

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid
SMILESO=C(NCCc1ccccc1)C1CCN(Cc2ccccc2F)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H25FN2O.C2H2O4/c22-20-9-5-4-8-19(20)16-24-14-11-18(12-15-24)21(25)23-13-10-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,18H,10-16H2,(H,23,25);(H,3,4)(H,5,6)
InChIKeyKWUGDWWGDYWGSR-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.55
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid

1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 2903381) has the molecular formula C23H27FN2O5 and a molecular weight of 430.48 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid
PubChem CID2903381
Molecular FormulaC23H27FN2O5
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid
SMILESO=C(NCCc1ccccc1)C1CCN(Cc2ccccc2F)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H25FN2O.C2H2O4/c22-20-9-5-4-8-19(20)16-24-14-11-18(12-15-24)21(25)23-13-10-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,18H,10-16H2,(H,23,25);(H,3,4)(H,5,6)
InChIKeyKWUGDWWGDYWGSR-UHFFFAOYSA-N
XLogP2.55
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid (CID 2903381) is 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid is O=C(NCCc1ccccc1)C1CCN(Cc2ccccc2F)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is KWUGDWWGDYWGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O.C2H2O4/c22-20-9-5-4-8-19(20)16-24-14-11-18(12-15-24)21(25)23-13-10-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,18H,10-16H2,(H,23,25);(H,3,4)(H,5,6).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid?
1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 430.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).