tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate

C19H30N2O5 — CID 142916488

IUPACtert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate
SMILESC=CC[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOC1=O
InChIInChI=1S/C19H30N2O5/c1-5-6-15(16(22)21-11-12-25-18(21)24)13-14-7-9-20(10-8-14)17(23)26-19(2,3)4/h5,14-15H,1,6-13H2,2-4H3/t15-/m1/s1
InChIKeyFROCUXBOEIINSK-OAHLLOKOSA-N
MW366.46 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate

tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate (PubChem CID 142916488) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate
PubChem CID142916488
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate
SMILESC=CC[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOC1=O
InChIInChI=1S/C19H30N2O5/c1-5-6-15(16(22)21-11-12-25-18(21)24)13-14-7-9-20(10-8-14)17(23)26-19(2,3)4/h5,14-15H,1,6-13H2,2-4H3/t15-/m1/s1
InChIKeyFROCUXBOEIINSK-OAHLLOKOSA-N
XLogP3.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate with MolForge

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Related Compounds

3-(2-Prop-2-enylhexanoyl)-1,3-oxazolidin-2-one
CID 85931226
3-(4-Methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one
CID 11173130
3-[(2R)-2-[(2S)-butan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 12066147
3-(3-Methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724677
3-(2-Propylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 85724473
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
3-(3-Methyl-2-propylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 101202974
3-(2-But-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one
CID 101202984
3-[3-Methyl-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101202986
3-[2-(Cyclohexylmethyl)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 101202987
3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101272014
3-[(2R)-2-propylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102070349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate (CID 142916488) is tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate is C=CC[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOC1=O.
What is the InChIKey of tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate?
The InChIKey is FROCUXBOEIINSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-5-6-15(16(22)21-11-12-25-18(21)24)13-14-7-9-20(10-8-14)17(23)26-19(2,3)4/h5,14-15H,1,6-13H2,2-4H3/t15-/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 142916488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).