benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate

C16H19N3O5 — CID 166253195

IUPACbenzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate
SMILESO=C1N[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CO1
InChIInChI=1S/C16H19N3O5/c20-14(13-11-23-15(21)17-13)18-6-8-19(9-7-18)16(22)24-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,21)/t13-/m1/s1
InChIKeyFYLLXAPHAFBDPO-CYBMUJFWSA-N
MW333.34 g/mol
LogP0.58
Rot. Bonds3

About benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate

benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 166253195) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID166253195
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namebenzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate
SMILESO=C1N[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CO1
InChIInChI=1S/C16H19N3O5/c20-14(13-11-23-15(21)17-13)18-6-8-19(9-7-18)16(22)24-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,21)/t13-/m1/s1
InChIKeyFYLLXAPHAFBDPO-CYBMUJFWSA-N
XLogP0.58
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazine-1-carboxylate
CID 58622394
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
CID 145307834
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate (CID 166253195) is benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate is O=C1N[C@@H](C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CO1.
What is the InChIKey of benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is FYLLXAPHAFBDPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-14(13-11-23-15(21)17-13)18-6-8-19(9-7-18)16(22)24-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,21)/t13-/m1/s1.
What are the key properties of benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate?
benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 166253195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).