4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid

C22H20N2O3S — CID 68514180

IUPAC4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1ccc(-c2nccs2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H20N2O3S/c25-20(17-8-6-16(7-9-17)19-23-12-15-28-19)24-13-10-22(11-14-24,21(26)27)18-4-2-1-3-5-18/h1-9,12,15H,10-11,13-14H2,(H,26,27)
InChIKeyDXNKUNRVRJDZRI-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.07
Rot. Bonds4

About 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid

4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 68514180) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid
PubChem CID68514180
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1ccc(-c2nccs2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H20N2O3S/c25-20(17-8-6-16(7-9-17)19-23-12-15-28-19)24-13-10-22(11-14-24,21(26)27)18-4-2-1-3-5-18/h1-9,12,15H,10-11,13-14H2,(H,26,27)
InChIKeyDXNKUNRVRJDZRI-UHFFFAOYSA-N
XLogP4.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid (CID 68514180) is 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid is O=C(c1ccc(-c2nccs2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is DXNKUNRVRJDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-20(17-8-6-16(7-9-17)19-23-12-15-28-19)24-13-10-22(11-14-24,21(26)27)18-4-2-1-3-5-18/h1-9,12,15H,10-11,13-14H2,(H,26,27).
What are the key properties of 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 392.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(1,3-thiazol-2-yl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 68514180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).