1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate

C16H26N2O5 — CID 118918517

IUPAC1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)OC(=O)C1CCNCC1
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-10-4-5-12(18)14(20)22-13(19)11-6-8-17-9-7-11/h11-12,17H,4-10H2,1-3H3
InChIKeyCGTLLBURGZOORZ-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.46
Rot. Bonds2

About 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate (PubChem CID 118918517) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate
PubChem CID118918517
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)OC(=O)C1CCNCC1
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-10-4-5-12(18)14(20)22-13(19)11-6-8-17-9-7-11/h11-12,17H,4-10H2,1-3H3
InChIKeyCGTLLBURGZOORZ-UHFFFAOYSA-N
XLogP1.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
sodium tris[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy]boranuide
CID 23679383
tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
CID 173484458
1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
CID 71904508
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
CID 155769942
CID 155769942
1-O-tert-butyl 2-O-hex-1-en-2-yl pyrrolidine-1,2-dicarboxylate
CID 73010431

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate (CID 118918517) is 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)OC(=O)C1CCNCC1.
What is the InChIKey of 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate?
The InChIKey is CGTLLBURGZOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-10-4-5-12(18)14(20)22-13(19)11-6-8-17-9-7-11/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate has a molecular weight of 326.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-(piperidine-4-carbonyl) pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 118918517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).