tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

C17H28N2O5 — CID 138621597

IUPACtert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCCC1(CC)OC(=O)N([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C17H28N2O5/c1-6-17(7-2)13(20)19(15(22)24-17)12-9-8-10-18(11-12)14(21)23-16(3,4)5/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyNDHIIUUVRHWHAC-LBPRGKRZSA-N
MW340.42 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (PubChem CID 138621597) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
PubChem CID138621597
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nametert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCCC1(CC)OC(=O)N([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C17H28N2O5/c1-6-17(7-2)13(20)19(15(22)24-17)12-9-8-10-18(11-12)14(21)23-16(3,4)5/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyNDHIIUUVRHWHAC-LBPRGKRZSA-N
XLogP2.92
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (CID 138621597) is tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is CCC1(CC)OC(=O)N([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The InChIKey is NDHIIUUVRHWHAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-6-17(7-2)13(20)19(15(22)24-17)12-9-8-10-18(11-12)14(21)23-16(3,4)5/h12H,6-11H2,1-5H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 138621597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).