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

C18H20N2O3S — CID 84588728

IUPAC4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCc1cscn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3S/c21-16(7-6-15-12-24-13-19-15)20-10-8-18(9-11-20,17(22)23)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,23)
InChIKeyRRRKDOFFZQACDN-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.72
Rot. Bonds5

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

4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 84588728) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID84588728
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCc1cscn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3S/c21-16(7-6-15-12-24-13-19-15)20-10-8-18(9-11-20,17(22)23)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,23)
InChIKeyRRRKDOFFZQACDN-UHFFFAOYSA-N
XLogP2.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
3-fluoro-1-[3-(1,3-thiazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119258334
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 126445524
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one;dihydrochloride
CID 120808866
1-[3-(1,3-benzoxazol-2-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168309
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one;dihydrochloride
CID 120746608
N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide
CID 91648931
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168522
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136784
1-[(3S)-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 124608135

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid (CID 84588728) is 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid is O=C(CCc1cscn1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is RRRKDOFFZQACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-16(7-6-15-12-24-13-19-15)20-10-8-18(9-11-20,17(22)23)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,23).
What are the key properties of 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84588728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).