1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide

C17H21N3O3S — CID 18110525

IUPAC1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)CN2CCSC2=O)C1
InChIInChI=1S/C17H21N3O3S/c21-15(12-20-9-10-24-17(20)23)19-8-4-5-13(11-19)16(22)18-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,18,22)
InChIKeyPSTGTIOKSBWONQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide

1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 18110525) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
PubChem CID18110525
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)CN2CCSC2=O)C1
InChIInChI=1S/C17H21N3O3S/c21-15(12-20-9-10-24-17(20)23)19-8-4-5-13(11-19)16(22)18-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,18,22)
InChIKeyPSTGTIOKSBWONQ-UHFFFAOYSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 119493471
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide (CID 18110525) is 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)CN2CCSC2=O)C1.
What is the InChIKey of 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is PSTGTIOKSBWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-15(12-20-9-10-24-17(20)23)19-8-4-5-13(11-19)16(22)18-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,18,22).
What are the key properties of 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 18110525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).