4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid

C23H27N3O3 — CID 68506569

IUPAC4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(N1CCN(c2ccccc2)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O3/c27-21(28)23(19-7-3-1-4-8-19)11-13-25(14-12-23)22(29)26-17-15-24(16-18-26)20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,28)
InChIKeyUKTINICJRKJMIY-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.05
Rot. Bonds3

About 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid

4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 68506569) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID68506569
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(N1CCN(c2ccccc2)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O3/c27-21(28)23(19-7-3-1-4-8-19)11-13-25(14-12-23)22(29)26-17-15-24(16-18-26)20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,28)
InChIKeyUKTINICJRKJMIY-UHFFFAOYSA-N
XLogP3.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
4-phenyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
CID 54982791
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidine-1-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513152
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid (CID 68506569) is 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid is O=C(N1CCN(c2ccccc2)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is UKTINICJRKJMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(28)23(19-7-3-1-4-8-19)11-13-25(14-12-23)22(29)26-17-15-24(16-18-26)20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,28).
What are the key properties of 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 393.49 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 68506569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).