ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate

C17H28N2O4S — CID 42744755

IUPACethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C17H28N2O4S/c1-3-5-8-15(20)19-12-24-11-14(19)16(21)18-9-6-7-13(10-18)17(22)23-4-2/h13-14H,3-12H2,1-2H3
InChIKeyFPBZKANRVSFGNJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.88
Rot. Bonds6

About ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 42744755) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID42744755
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Nameethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C17H28N2O4S/c1-3-5-8-15(20)19-12-24-11-14(19)16(21)18-9-6-7-13(10-18)17(22)23-4-2/h13-14H,3-12H2,1-2H3
InChIKeyFPBZKANRVSFGNJ-UHFFFAOYSA-N
XLogP1.88
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate (CID 42744755) is ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate is CCCCC(=O)N1CSCC1C(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is FPBZKANRVSFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-3-5-8-15(20)19-12-24-11-14(19)16(21)18-9-6-7-13(10-18)17(22)23-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 356.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42744755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).