ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate

C12H20N2O4 — CID 113330833

IUPACethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC2CNC(=O)O2)C1
InChIInChI=1S/C12H20N2O4/c1-2-17-11(15)9-4-3-5-14(7-9)8-10-6-13-12(16)18-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-,10?/m0/s1
InChIKeyCPDMTHYXTGHJFN-RGURZIINSA-N
MW256.30 g/mol
LogP0.37
Rot. Bonds4

About ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate

ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate (PubChem CID 113330833) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
PubChem CID113330833
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC2CNC(=O)O2)C1
InChIInChI=1S/C12H20N2O4/c1-2-17-11(15)9-4-3-5-14(7-9)8-10-6-13-12(16)18-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-,10?/m0/s1
InChIKeyCPDMTHYXTGHJFN-RGURZIINSA-N
XLogP0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3R)-1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate
CID 98765968
ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 124573390
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate (CID 113330833) is ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CC2CNC(=O)O2)C1.
What is the InChIKey of ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate?
The InChIKey is CPDMTHYXTGHJFN-RGURZIINSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-17-11(15)9-4-3-5-14(7-9)8-10-6-13-12(16)18-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-,10?/m0/s1.
What are the key properties of ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 113330833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).