tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate

C14H24N2O3 — CID 76644324

IUPACtert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(=O)CC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-7-4-11(10-16)15-8-5-12(17)6-9-15/h11H,4-10H2,1-3H3
InChIKeyFZMNBJXPHVSZHO-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.66
Rot. Bonds1

About tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 76644324) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID76644324
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(=O)CC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-7-4-11(10-16)15-8-5-12(17)6-9-15/h11H,4-10H2,1-3H3
InChIKeyFZMNBJXPHVSZHO-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
tert-butyl (9aS)-7-oxo-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate
CID 86336489
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361
tert-butyl (3R)-3-(3-bromo-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430292
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl (3R)-3-(4-chloro-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168686809

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate (CID 76644324) is tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCC(=O)CC2)C1.
What is the InChIKey of tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is FZMNBJXPHVSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-7-4-11(10-16)15-8-5-12(17)6-9-15/h11H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 76644324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).