4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate

C17H21N2O5- — CID 23371834

IUPAC4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
SMILESCOCC1CN(c2ccc(C3CCN(C(=O)[O-])CC3)cc2)C(=O)O1
InChIInChI=1S/C17H22N2O5/c1-23-11-15-10-19(17(22)24-15)14-4-2-12(3-5-14)13-6-8-18(9-7-13)16(20)21/h2-5,13,15H,6-11H2,1H3,(H,20,21)/p-1
InChIKeyITXNKDGVRCPECO-UHFFFAOYSA-M
MW333.36 g/mol
LogP1.18
Rot. Bonds4

About 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate

4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate (PubChem CID 23371834) has the molecular formula C17H21N2O5- and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
PubChem CID23371834
Molecular FormulaC17H21N2O5-
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
SMILESCOCC1CN(c2ccc(C3CCN(C(=O)[O-])CC3)cc2)C(=O)O1
InChIInChI=1S/C17H22N2O5/c1-23-11-15-10-19(17(22)24-15)14-4-2-12(3-5-14)13-6-8-18(9-7-13)16(20)21/h2-5,13,15H,6-11H2,1H3,(H,20,21)/p-1
InChIKeyITXNKDGVRCPECO-UHFFFAOYSA-M
XLogP1.18
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
CID 86749980
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
[4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl] acetate
CID 54456815
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidin-1-yl]-1-hydroxy-2-oxoethyl] acetate
CID 57214552
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 3061370
4-chloro-N-[2-[[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl]amino]ethyl]benzamide;hydrochloride
CID 67743321
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
3-(7-hydroxynaphthalen-2-yl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 19012479
3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate?
The IUPAC name of 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate (CID 23371834) is 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate?
The canonical SMILES for 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate is COCC1CN(c2ccc(C3CCN(C(=O)[O-])CC3)cc2)C(=O)O1.
What is the InChIKey of 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate?
The InChIKey is ITXNKDGVRCPECO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H22N2O5/c1-23-11-15-10-19(17(22)24-15)14-4-2-12(3-5-14)13-6-8-18(9-7-13)16(20)21/h2-5,13,15H,6-11H2,1H3,(H,20,21)/p-1.
What are the key properties of 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate?
4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate has a molecular weight of 333.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 23371834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).