1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

C17H20N2O4S — CID 75405301

IUPAC1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(CN1CSCC1=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C17H20N2O4S/c20-14(10-19-12-24-11-15(19)21)18-8-6-17(7-9-18,16(22)23)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,22,23)
InChIKeyJXAZBKQBQIVTKF-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.16
Rot. Bonds4

About 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 75405301) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID75405301
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(CN1CSCC1=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C17H20N2O4S/c20-14(10-19-12-24-11-15(19)21)18-8-6-17(7-9-18,16(22)23)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,22,23)
InChIKeyJXAZBKQBQIVTKF-UHFFFAOYSA-N
XLogP1.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809743
1-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136794
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 154750479
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410
1-[2-(1-oxophthalazin-2-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168317
1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136795
3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9225895
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid (CID 75405301) is 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid is O=C(CN1CSCC1=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is JXAZBKQBQIVTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-14(10-19-12-24-11-15(19)21)18-8-6-17(7-9-18,16(22)23)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,22,23).
What are the key properties of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 75405301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).