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

C18H30N2O4S — CID 42745458

IUPACethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C(CC)CC)C1
InChIInChI=1S/C18H30N2O4S/c1-4-13(5-2)16(21)20-12-25-11-15(20)17(22)19-9-7-8-14(10-19)18(23)24-6-3/h13-15H,4-12H2,1-3H3
InChIKeyWOYFIKISIRTQBV-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.13
Rot. Bonds6

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

ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (PubChem CID 42745458) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
PubChem CID42745458
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Nameethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C(CC)CC)C1
InChIInChI=1S/C18H30N2O4S/c1-4-13(5-2)16(21)20-12-25-11-15(20)17(22)19-9-7-8-14(10-19)18(23)24-6-3/h13-15H,4-12H2,1-3H3
InChIKeyWOYFIKISIRTQBV-UHFFFAOYSA-N
XLogP2.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 3706919
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-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 42745622
Ethyl 1-[3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42745631

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (CID 42745458) is ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C(CC)CC)C1.
What is the InChIKey of ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is WOYFIKISIRTQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-4-13(5-2)16(21)20-12-25-11-15(20)17(22)19-9-7-8-14(10-19)18(23)24-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 370.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42745458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).