methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate

C12H18N2O4S — CID 78919114

IUPACmethyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C12H18N2O4S/c1-18-12(17)9-3-2-4-13(5-9)10(15)6-14-8-19-7-11(14)16/h9H,2-8H2,1H3
InChIKeyPFCBZNMDUNEPRC-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.07
Rot. Bonds3

About methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate

methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 78919114) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
PubChem CID78919114
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C12H18N2O4S/c1-18-12(17)9-3-2-4-13(5-9)10(15)6-14-8-19-7-11(14)16/h9H,2-8H2,1H3
InChIKeyPFCBZNMDUNEPRC-UHFFFAOYSA-N
XLogP-0.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylate
CID 78919229
methyl (3S)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxylate
CID 78919504
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate (CID 78919114) is methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)CN2CSCC2=O)C1.
What is the InChIKey of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is PFCBZNMDUNEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-12(17)9-3-2-4-13(5-9)10(15)6-14-8-19-7-11(14)16/h9H,2-8H2,1H3.
What are the key properties of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate?
methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 286.35 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78919114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).