benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

C22H24N2O5S — CID 74229565

IUPACbenzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1COC(=O)N1C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C22H24N2O5S/c25-20(13-18-7-4-12-30-18)23-10-8-17(9-11-23)24-19(15-29-22(24)27)21(26)28-14-16-5-2-1-3-6-16/h1-7,12,17,19H,8-11,13-15H2/t19-/m0/s1
InChIKeyYJPFXTYXEVFNOE-IBGZPJMESA-N
MW428.51 g/mol
LogP2.85
Rot. Bonds6

About benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (PubChem CID 74229565) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
PubChem CID74229565
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Namebenzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1COC(=O)N1C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C22H24N2O5S/c25-20(13-18-7-4-12-30-18)23-10-8-17(9-11-23)24-19(15-29-22(24)27)21(26)28-14-16-5-2-1-3-6-16/h1-7,12,17,19H,8-11,13-15H2/t19-/m0/s1
InChIKeyYJPFXTYXEVFNOE-IBGZPJMESA-N
XLogP2.85
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

benzyl (4S)-2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74227457
4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3671179
benzyl (4S)-3-[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225885
benzyl (4S)-2-oxo-3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74224785
benzyl 4-(2-thiophen-2-ylacetyl)-1,4-diazepane-1-carboxylate
CID 110798615
ethyl 3-[1-[2-[benzenesulfonyl(methyl)amino]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3814346
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
methyl 3-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3852671

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (CID 74229565) is benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is O=C(OCc1ccccc1)[C@@H]1COC(=O)N1C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is YJPFXTYXEVFNOE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O5S/c25-20(13-18-7-4-12-30-18)23-10-8-17(9-11-23)24-19(15-29-22(24)27)21(26)28-14-16-5-2-1-3-6-16/h1-7,12,17,19H,8-11,13-15H2/t19-/m0/s1.
What are the key properties of benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 428.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 74229565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).