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

C16H28N2O3 — CID 19380957

IUPACtert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-11-7-13(8-12-18)6-10-17-9-4-5-14(17)19/h13H,4-12H2,1-3H3
InChIKeyMCDQYPCTWWPSCM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.65
Rot. Bonds3

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

tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate (PubChem CID 19380957) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
PubChem CID19380957
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-11-7-13(8-12-18)6-10-17-9-4-5-14(17)19/h13H,4-12H2,1-3H3
InChIKeyMCDQYPCTWWPSCM-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate (CID 19380957) is tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is MCDQYPCTWWPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-11-7-13(8-12-18)6-10-17-9-4-5-14(17)19/h13H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 19380957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).