ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate

C19H30N2O4S — CID 42748472

IUPACethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCCC1SCC(C(=O)N2CCC(C(=O)OCC)CC2)N1C(=O)C1CC1
InChIInChI=1S/C19H30N2O4S/c1-3-5-16-21(17(22)13-6-7-13)15(12-26-16)18(23)20-10-8-14(9-11-20)19(24)25-4-2/h13-16H,3-12H2,1-2H3
InChIKeyOWPNPOCHDCIJBF-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.27
Rot. Bonds6

About ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 42748472) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID42748472
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Nameethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCCC1SCC(C(=O)N2CCC(C(=O)OCC)CC2)N1C(=O)C1CC1
InChIInChI=1S/C19H30N2O4S/c1-3-5-16-21(17(22)13-6-7-13)15(12-26-16)18(23)20-10-8-14(9-11-20)19(24)25-4-2/h13-16H,3-12H2,1-2H3
InChIKeyOWPNPOCHDCIJBF-UHFFFAOYSA-N
XLogP2.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (CID 42748472) is ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is CCCC1SCC(C(=O)N2CCC(C(=O)OCC)CC2)N1C(=O)C1CC1.
What is the InChIKey of ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is OWPNPOCHDCIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-3-5-16-21(17(22)13-6-7-13)15(12-26-16)18(23)20-10-8-14(9-11-20)19(24)25-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 382.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42748472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).