tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate

C18H31N3O3 — CID 86747527

IUPACtert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate
SMILESCC(=CCCC1CCN(C(=O)OC(C)(C)C)CC1)N1CCNC1=O
InChIInChI=1S/C18H31N3O3/c1-14(21-13-10-19-16(21)22)6-5-7-15-8-11-20(12-9-15)17(23)24-18(2,3)4/h6,15H,5,7-13H2,1-4H3,(H,19,22)
InChIKeyOPFAYPMTNUVCQB-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate

tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate (PubChem CID 86747527) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate
PubChem CID86747527
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate
SMILESCC(=CCCC1CCN(C(=O)OC(C)(C)C)CC1)N1CCNC1=O
InChIInChI=1S/C18H31N3O3/c1-14(21-13-10-19-16(21)22)6-5-7-15-8-11-20(12-9-15)17(23)24-18(2,3)4/h6,15H,5,7-13H2,1-4H3,(H,19,22)
InChIKeyOPFAYPMTNUVCQB-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl 4-[(2,3-dioxopiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 83290488
tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 67714075
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
CID 19380941
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate (CID 86747527) is tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate is CC(=CCCC1CCN(C(=O)OC(C)(C)C)CC1)N1CCNC1=O.
What is the InChIKey of tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate?
The InChIKey is OPFAYPMTNUVCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14(21-13-10-19-16(21)22)6-5-7-15-8-11-20(12-9-15)17(23)24-18(2,3)4/h6,15H,5,7-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate?
tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 86747527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).