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

C15H24N2O4S — CID 3706919

IUPACethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSCN2C(=O)CC)CC1
InChIInChI=1S/C15H24N2O4S/c1-3-13(18)17-10-22-9-12(17)14(19)16-7-5-11(6-8-16)15(20)21-4-2/h11-12H,3-10H2,1-2H3
InChIKeyTUMDICALRFOKQF-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.10
Rot. Bonds4

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

ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 3706919) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID3706919
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nameethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSCN2C(=O)CC)CC1
InChIInChI=1S/C15H24N2O4S/c1-3-13(18)17-10-22-9-12(17)14(19)16-7-5-11(6-8-16)15(20)21-4-2/h11-12H,3-10H2,1-2H3
InChIKeyTUMDICALRFOKQF-UHFFFAOYSA-N
XLogP1.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-methyl 1-O-(2-methylpropyl) 4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1,4-dicarboxylate
CID 87277998
Ethyl 4-[4-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate
CID 3351885
Ethyl 1-[2-ethyl-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 4664500
1-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 16394988
ethyl 1-((R)-3-((R)-5-oxopyrrolidine-2-carbonyl)thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 16407827
ethyl 1-[(2S)-2-amino-4-methylsulfanylbutanoyl]piperidine-4-carboxylate
CID 22691954
ethyl 1-[(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 25581724
ethyl 1-[(4S)-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 25581732
ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40854999
ethyl 1-[(4R)-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40855001
Ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42744622
Ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 42744745

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (CID 3706919) is ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CSCN2C(=O)CC)CC1.
What is the InChIKey of ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is TUMDICALRFOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-3-13(18)17-10-22-9-12(17)14(19)16-7-5-11(6-8-16)15(20)21-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 3706919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).