tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate

C18H30N2O3 — CID 168683494

IUPACtert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESC=CC1CC(=O)N(CCC2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C18H30N2O3/c1-5-14-11-16(21)19(12-14)10-8-15-7-6-9-20(13-15)17(22)23-18(2,3)4/h5,14-15H,1,6-13H2,2-4H3
InChIKeyGDKFFBZKWZIIQP-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate (PubChem CID 168683494) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
PubChem CID168683494
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESC=CC1CC(=O)N(CCC2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C18H30N2O3/c1-5-14-11-16(21)19(12-14)10-8-15-7-6-9-20(13-15)17(22)23-18(2,3)4/h5,14-15H,1,6-13H2,2-4H3
InChIKeyGDKFFBZKWZIIQP-UHFFFAOYSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 3-allyl-4-oxopiperidine-1-carboxylate
CID 19391143
Tert-butyl 2-oxo-3-prop-2-enylpiperidine-1-carboxylate
CID 10705160
Tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134881248
tert-butyl (4S)-2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134895615
Tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 168683868
tert-Butyl 3-allyl-2-oxopyrrolidine-1-carboxylate
CID 10846824
Tert-butyl 4-[(2-oxo-3-prop-2-enylpiperidin-1-yl)methyl]piperidine-1-carboxylate
CID 53958448
Tert-butyl 4-[2-(2-oxo-3-prop-1-enylpyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 53962288
tert-butyl (3S)-3-but-3-enoylpyrrolidine-1-carboxylate
CID 59536641
Tert-butyl 3-(pent-4-enoyl)pyrrolidine-1-carboxylate
CID 66833273
tert-butyl (3R)-3-(pent-4-enoyl)pyrrolidine-1-carboxylate
CID 66833274
Tert-butyl-4-pent-4-enoylpiperidine-1-carboxylate
CID 66833620

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate (CID 168683494) is tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate is C=CC1CC(=O)N(CCC2CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is GDKFFBZKWZIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-14-11-16(21)19(12-14)10-8-15-7-6-9-20(13-15)17(22)23-18(2,3)4/h5,14-15H,1,6-13H2,2-4H3.
What are the key properties of tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 168683494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).