4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid

C23H25F2N3O3 — CID 59527745

IUPAC4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(N1CCN(c2ccc(F)cc2)CC1)N1CCC(C(=O)O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F2N3O3/c24-18-3-1-17(2-4-18)23(21(29)30)9-11-27(12-10-23)22(31)28-15-13-26(14-16-28)20-7-5-19(25)6-8-20/h1-8H,9-16H2,(H,29,30)
InChIKeyJHQPPSRPNDBFDJ-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.33
Rot. Bonds3

About 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid

4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid (PubChem CID 59527745) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
PubChem CID59527745
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(N1CCN(c2ccc(F)cc2)CC1)N1CCC(C(=O)O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F2N3O3/c24-18-3-1-17(2-4-18)23(21(29)30)9-11-27(12-10-23)22(31)28-15-13-26(14-16-28)20-7-5-19(25)6-8-20/h1-8H,9-16H2,(H,29,30)
InChIKeyJHQPPSRPNDBFDJ-UHFFFAOYSA-N
XLogP3.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 68506569
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763134
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
(Z)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 2111510
1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 154750479
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid (CID 59527745) is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid is O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCC(C(=O)O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is JHQPPSRPNDBFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c24-18-3-1-17(2-4-18)23(21(29)30)9-11-27(12-10-23)22(31)28-15-13-26(14-16-28)20-7-5-19(25)6-8-20/h1-8H,9-16H2,(H,29,30).
What are the key properties of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 429.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59527745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).