N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid

C23H26FN3O6 — CID 175652870

IUPACN-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
SMILESO=C(NC1CCN(C(=O)CNCc2ccccc2)CC1)c1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C21H24FN3O2.C2H2O4/c22-19-9-5-4-8-18(19)21(27)24-17-10-12-25(13-11-17)20(26)15-23-14-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,17,23H,10-15H2,(H,24,27);(H,3,4)(H,5,6)
InChIKeyYXEMLWLGZKQBNV-UHFFFAOYSA-N
MW459.47 g/mol
LogP1.49
Rot. Bonds6

About N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid

N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid (PubChem CID 175652870) has the molecular formula C23H26FN3O6 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid.

Molecular Properties

Compound NameN-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
PubChem CID175652870
Molecular FormulaC23H26FN3O6
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC NameN-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
SMILESO=C(NC1CCN(C(=O)CNCc2ccccc2)CC1)c1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C21H24FN3O2.C2H2O4/c22-19-9-5-4-8-18(19)21(27)24-17-10-12-25(13-11-17)20(26)15-23-14-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,17,23H,10-15H2,(H,24,27);(H,3,4)(H,5,6)
InChIKeyYXEMLWLGZKQBNV-UHFFFAOYSA-N
XLogP1.49
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid?
The IUPAC name of N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid (CID 175652870) is N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid.
What is the SMILES notation for N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid?
The canonical SMILES for N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid is O=C(NC1CCN(C(=O)CNCc2ccccc2)CC1)c1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid?
The InChIKey is YXEMLWLGZKQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.C2H2O4/c22-19-9-5-4-8-18(19)21(27)24-17-10-12-25(13-11-17)20(26)15-23-14-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,17,23H,10-15H2,(H,24,27);(H,3,4)(H,5,6).
What are the key properties of N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid?
N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid has a molecular weight of 459.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid is sourced from PubChem (CID 175652870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).