1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C17H20N2O5S — CID 119251290

IUPAC1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CSCN1C(=O)c1ccccc1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H20N2O5S/c20-14(12-4-2-1-3-5-12)19-11-25-10-13(19)15(21)18-8-6-17(24,7-9-18)16(22)23/h1-5,13,24H,6-11H2,(H,22,23)
InChIKeyXXZHRTTZDLKVFV-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.64
Rot. Bonds3

About 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251290) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251290
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CSCN1C(=O)c1ccccc1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H20N2O5S/c20-14(12-4-2-1-3-5-12)19-11-25-10-13(19)15(21)18-8-6-17(24,7-9-18)16(22)23/h1-5,13,24H,6-11H2,(H,22,23)
InChIKeyXXZHRTTZDLKVFV-UHFFFAOYSA-N
XLogP0.64
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174920
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55942253
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-benzoyl-1,3-thiazolidin-4-yl)methanone
CID 120749146
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97023493
N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55941004
1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 3960804
6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251290) is 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(C1CSCN1C(=O)c1ccccc1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XXZHRTTZDLKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c20-14(12-4-2-1-3-5-12)19-11-25-10-13(19)15(21)18-8-6-17(24,7-9-18)16(22)23/h1-5,13,24H,6-11H2,(H,22,23).
What are the key properties of 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 364.42 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).