1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid

C21H27FN2O6 — CID 162339607

IUPAC1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
SMILESO=C(CN1CCOCC1)N1CCC(/C=C/c2ccccc2F)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H25FN2O2.C2H2O4/c20-18-4-2-1-3-17(18)6-5-16-7-9-22(10-8-16)19(23)15-21-11-13-24-14-12-21;3-1(4)2(5)6/h1-6,16H,7-15H2;(H,3,4)(H,5,6)/b6-5+;
InChIKeyYLQAEQXFALBMHY-IPZCTEOASA-N
MW422.45 g/mol
LogP1.57
Rot. Bonds4

About 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid

1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid (PubChem CID 162339607) has the molecular formula C21H27FN2O6 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid.

Molecular Properties

Compound Name1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
PubChem CID162339607
Molecular FormulaC21H27FN2O6
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
SMILESO=C(CN1CCOCC1)N1CCC(/C=C/c2ccccc2F)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H25FN2O2.C2H2O4/c20-18-4-2-1-3-17(18)6-5-16-7-9-22(10-8-16)19(23)15-21-11-13-24-14-12-21;3-1(4)2(5)6/h1-6,16H,7-15H2;(H,3,4)(H,5,6)/b6-5+;
InChIKeyYLQAEQXFALBMHY-IPZCTEOASA-N
XLogP1.57
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;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

Related Compounds

1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686471
1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686441
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162336897
1-[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 51003459
3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686453
1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686398
4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686459
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686356
1-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 162334768
7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
CID 140524637
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]piperidin-1-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone;oxalic acid
CID 160757568

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid?
The IUPAC name of 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid (CID 162339607) is 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid.
What is the SMILES notation for 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid?
The canonical SMILES for 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid is O=C(CN1CCOCC1)N1CCC(/C=C/c2ccccc2F)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid?
The InChIKey is YLQAEQXFALBMHY-IPZCTEOASA-N. The full InChI is InChI=1S/C19H25FN2O2.C2H2O4/c20-18-4-2-1-3-17(18)6-5-16-7-9-22(10-8-16)19(23)15-21-11-13-24-14-12-21;3-1(4)2(5)6/h1-6,16H,7-15H2;(H,3,4)(H,5,6)/b6-5+;.
What are the key properties of 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid?
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid has a molecular weight of 422.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid is sourced from PubChem (CID 162339607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).