3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione

C12H16N2O3S — CID 86265737

IUPAC3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(C1CC1)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C12H16N2O3S/c15-10-7-18-12(17)14(10)9-3-5-13(6-4-9)11(16)8-1-2-8/h8-9H,1-7H2
InChIKeyZSVDRPUKLBEQIR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.08
Rot. Bonds2

About 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione

3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 86265737) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
PubChem CID86265737
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(C1CC1)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C12H16N2O3S/c15-10-7-18-12(17)14(10)9-3-5-13(6-4-9)11(16)8-1-2-8/h8-9H,1-7H2
InChIKeyZSVDRPUKLBEQIR-UHFFFAOYSA-N
XLogP1.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157092
3-[1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 99878226
3-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157074
3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156873
4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121157013
3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156899
N-[4-[(3R)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 99991762
3-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157026
3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99878132
(3R)-N-(3,4-dimethylphenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carboxamide
CID 100728995
3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 121157204
3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione
CID 87277977

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione (CID 86265737) is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione is O=C(C1CC1)N1CCC(N2C(=O)CSC2=O)CC1.
What is the InChIKey of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZSVDRPUKLBEQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10-7-18-12(17)14(10)9-3-5-13(6-4-9)11(16)8-1-2-8/h8-9H,1-7H2.
What are the key properties of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 268.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 86265737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).