tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate

C16H29N3O3 — CID 67714075

IUPACtert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCC1CNC(=O)N1CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29N3O3/c1-12-11-17-14(20)19(12)10-7-13-5-8-18(9-6-13)15(21)22-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyDAOGBYRQYQYSHI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate (PubChem CID 67714075) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
PubChem CID67714075
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCC1CNC(=O)N1CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29N3O3/c1-12-11-17-14(20)19(12)10-7-13-5-8-18(9-6-13)15(21)22-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyDAOGBYRQYQYSHI-UHFFFAOYSA-N
XLogP2.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate
CID 90272489
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 100637047
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate
CID 86747527
tert-butyl 4-[2-(2,5-dimethyl-7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)ethyl]piperidine-1-carboxylate
CID 123182587
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-2-oxopiperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949571
tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate (CID 67714075) is tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate is CC1CNC(=O)N1CCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is DAOGBYRQYQYSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12-11-17-14(20)19(12)10-7-13-5-8-18(9-6-13)15(21)22-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67714075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).