tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

C18H31N3O3S — CID 22029115

IUPACtert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCCCC2)CC1C(=O)N1CCSC1
InChIInChI=1S/C18H31N3O3S/c1-18(2,3)24-17(23)21-12-14(19-7-5-4-6-8-19)11-15(21)16(22)20-9-10-25-13-20/h14-15H,4-13H2,1-3H3
InChIKeyMXEWYJZVIIUHRH-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 22029115) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
PubChem CID22029115
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Nametert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCCCC2)CC1C(=O)N1CCSC1
InChIInChI=1S/C18H31N3O3S/c1-18(2,3)24-17(23)21-12-14(19-7-5-4-6-8-19)11-15(21)16(22)20-9-10-25-13-20/h14-15H,4-13H2,1-3H3
InChIKeyMXEWYJZVIIUHRH-UHFFFAOYSA-N
XLogP2.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate (CID 22029115) is tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N2CCCCC2)CC1C(=O)N1CCSC1.
What is the InChIKey of tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is MXEWYJZVIIUHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-18(2,3)24-17(23)21-12-14(19-7-5-4-6-8-19)11-15(21)16(22)20-9-10-25-13-20/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 369.53 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 22029115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).