ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate

C19H30N2O4S — CID 42744644

IUPACethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C2CCCCC2)C1
InChIInChI=1S/C19H30N2O4S/c1-2-25-19(24)15-9-6-10-20(11-15)18(23)16-12-26-13-21(16)17(22)14-7-4-3-5-8-14/h14-16H,2-13H2,1H3
InChIKeyXEDNGRKAAHKFFU-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.27
Rot. Bonds4

About ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (PubChem CID 42744644) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
PubChem CID42744644
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Nameethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C2CCCCC2)C1
InChIInChI=1S/C19H30N2O4S/c1-2-25-19(24)15-9-6-10-20(11-15)18(23)16-12-26-13-21(16)17(22)14-7-4-3-5-8-14/h14-16H,2-13H2,1H3
InChIKeyXEDNGRKAAHKFFU-UHFFFAOYSA-N
XLogP2.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (CID 42744644) is ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C2CCCCC2)C1.
What is the InChIKey of ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is XEDNGRKAAHKFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-2-25-19(24)15-9-6-10-20(11-15)18(23)16-12-26-13-21(16)17(22)14-7-4-3-5-8-14/h14-16H,2-13H2,1H3.
What are the key properties of ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 382.53 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42744644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).