(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid

C24H28FN3O5 — CID 17369235

IUPAC(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H26FN3O.C2H2O4/c23-19-8-6-18(7-9-19)22(27)26-12-10-21(11-13-26)25-16-14-24(15-17-25)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-9,21H,10-17H2;(H,3,4)(H,5,6)
InChIKeyVPERDMBRNQTMJD-UHFFFAOYSA-N
MW457.50 g/mol
LogP2.41
Rot. Bonds3

About (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid

(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid (PubChem CID 17369235) has the molecular formula C24H28FN3O5 and a molecular weight of 457.50 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
PubChem CID17369235
Molecular FormulaC24H28FN3O5
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Name(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H26FN3O.C2H2O4/c23-19-8-6-18(7-9-19)22(27)26-12-10-21(11-13-26)25-16-14-24(15-17-25)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-9,21H,10-17H2;(H,3,4)(H,5,6)
InChIKeyVPERDMBRNQTMJD-UHFFFAOYSA-N
XLogP2.41
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
(4-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone;oxalic acid
CID 2880178
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42881342
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid?
The IUPAC name of (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid (CID 17369235) is (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid?
The canonical SMILES for (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid is O=C(O)C(=O)O.O=C(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid?
The InChIKey is VPERDMBRNQTMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O.C2H2O4/c23-19-8-6-18(7-9-19)22(27)26-12-10-21(11-13-26)25-16-14-24(15-17-25)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-9,21H,10-17H2;(H,3,4)(H,5,6).
What are the key properties of (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid?
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid has a molecular weight of 457.50 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid is sourced from PubChem (CID 17369235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).