tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate

C14H24N2O4 — CID 86761616

IUPACtert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(=O)N1[C@H]1CCOC1
InChIInChI=1S/C14H24N2O4/c1-10-7-15(13(18)20-14(2,3)4)8-12(17)16(10)11-5-6-19-9-11/h10-11H,5-9H2,1-4H3/t10?,11-/m0/s1
InChIKeyMTWHHIDITNCLOD-DTIOYNMSSA-N
MW284.36 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate

tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate (PubChem CID 86761616) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate
PubChem CID86761616
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(=O)N1[C@H]1CCOC1
InChIInChI=1S/C14H24N2O4/c1-10-7-15(13(18)20-14(2,3)4)8-12(17)16(10)11-5-6-19-9-11/h10-11H,5-9H2,1-4H3/t10?,11-/m0/s1
InChIKeyMTWHHIDITNCLOD-DTIOYNMSSA-N
XLogP1.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-oxo-4-(oxolan-3-yl)piperazine-1-carboxylate
CID 67085465
tert-butyl (3S)-3-methyl-4-(oxetan-3-yl)piperazine-1-carboxylate
CID 138543980
tert-butyl (3R)-3-methyl-4-(oxetan-3-yl)piperazine-1-carboxylate
CID 138550018
tert-butyl 3-oxa-8-azabicyclo[4.3.1]decane-8-carboxylate
CID 91576218
tert-butyl 3-[[5-oxo-4-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]methyl]azetidine-1-carboxylate
CID 102655664
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421
tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
CID 170718438
tert-butyl 3-[3-iodo-1-(oxolan-3-yl)pyrazol-5-yl]azetidine-1-carboxylate
CID 90292752
tert-butyl 3-bromo-1-(oxolan-3-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 121373082
tert-butyl 5,6-dimethyl-3-oxo-1,4-diazepane-1-carboxylate
CID 169181220
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
tert-butyl 3-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate
CID 66999542

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate (CID 86761616) is tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC(=O)N1[C@H]1CCOC1.
What is the InChIKey of tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate?
The InChIKey is MTWHHIDITNCLOD-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-7-15(13(18)20-14(2,3)4)8-12(17)16(10)11-5-6-19-9-11/h10-11H,5-9H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate?
tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-5-oxo-4-[(3S)-oxolan-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 86761616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).