ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate

C20H34N2O4S — CID 42749177

IUPACethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCCCC(=O)N1C(CCC)SCC1C(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C20H34N2O4S/c1-4-7-11-17(23)22-16(14-27-18(22)9-5-2)19(24)21-12-8-10-15(13-21)20(25)26-6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyFCGQTQHJHVLXST-UHFFFAOYSA-N
MW398.57 g/mol
LogP3.05
Rot. Bonds8

About ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 42749177) has the molecular formula C20H34N2O4S and a molecular weight of 398.57 g/mol. Its IUPAC name is ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID42749177
Molecular FormulaC20H34N2O4S
Molecular Weight398.57 g/mol
Exact Mass398.22
IUPAC Nameethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCCCC(=O)N1C(CCC)SCC1C(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C20H34N2O4S/c1-4-7-11-17(23)22-16(14-27-18(22)9-5-2)19(24)21-12-8-10-15(13-21)20(25)26-6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyFCGQTQHJHVLXST-UHFFFAOYSA-N
XLogP3.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-[(2S)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 9444776
ethyl (3R)-1-[(2S)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444777
ethyl (3S)-1-[(2S)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 9444778
ethyl (3S)-1-[(2S)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444779
Ethyl 1-(1-butanoylpyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 42702673
Ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42744622
Ethyl 1-[3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42744644
Ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 42744745
Ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate
CID 42744755
Ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42745458
Ethyl 1-[3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42745631
Ethyl 1-[3-(cyclopropanecarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42748153

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate (CID 42749177) is ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate is CCCCC(=O)N1C(CCC)SCC1C(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is FCGQTQHJHVLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4S/c1-4-7-11-17(23)22-16(14-27-18(22)9-5-2)19(24)21-12-8-10-15(13-21)20(25)26-6-3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 398.57 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-pentanoyl-2-propyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42749177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).