tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

C14H25N3O4 — CID 122455643

IUPACtert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N1CCNC1=O
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)16-7-5-10(11(9-16)20-4)17-8-6-15-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m1/s1
InChIKeyZZINTVYOCJWPSQ-MNOVXSKESA-N
MW299.37 g/mol
LogP1.04
Rot. Bonds2

About tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (PubChem CID 122455643) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
PubChem CID122455643
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N1CCNC1=O
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)16-7-5-10(11(9-16)20-4)17-8-6-15-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m1/s1
InChIKeyZZINTVYOCJWPSQ-MNOVXSKESA-N
XLogP1.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407
tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
CID 143402030
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 141313979
tert-butyl (4aS,8aS)-8-oxo-1,3,4,4a,5,6,7,8a-octahydro-2,7-naphthyridine-2-carboxylate
CID 156559281
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl (9aR)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 97111995
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (CID 122455643) is tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N1CCNC1=O.
What is the InChIKey of tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is ZZINTVYOCJWPSQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)16-7-5-10(11(9-16)20-4)17-8-6-15-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 122455643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).