3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione

C17H18N2O3S — CID 121156873

IUPAC3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(/C=C/c1ccccc1)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C17H18N2O3S/c20-15(7-6-13-4-2-1-3-5-13)18-10-8-14(9-11-18)19-16(21)12-23-17(19)22/h1-7,14H,8-12H2/b7-6+
InChIKeyYKTCAHNBSYIHIQ-VOTSOKGWSA-N
MW330.41 g/mol
LogP2.39
Rot. Bonds3

About 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione

3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121156873) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121156873
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(/C=C/c1ccccc1)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C17H18N2O3S/c20-15(7-6-13-4-2-1-3-5-13)18-10-8-14(9-11-18)19-16(21)12-23-17(19)22/h1-7,14H,8-12H2/b7-6+
InChIKeyYKTCAHNBSYIHIQ-VOTSOKGWSA-N
XLogP2.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155174
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
(E)-1-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-3-phenylprop-2-en-1-one
CID 129424094
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
(E)-3-phenyl-1-(7-phenyl-1,4-thiazepan-4-yl)prop-2-en-1-one
CID 90629393
(E)-3-phenyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 121019054
(E)-3-phenyl-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892263
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione (CID 121156873) is 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione is O=C(/C=C/c1ccccc1)N1CCC(N2C(=O)CSC2=O)CC1.
What is the InChIKey of 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is YKTCAHNBSYIHIQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-15(7-6-13-4-2-1-3-5-13)18-10-8-14(9-11-18)19-16(21)12-23-17(19)22/h1-7,14H,8-12H2/b7-6+.
What are the key properties of 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 330.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121156873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).