tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate

C16H29N3O3 — CID 103801756

IUPACtert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-10-7-13(12-19)17-11-14(20)18-8-5-4-6-9-18/h13,17H,4-12H2,1-3H3
InChIKeyQHBLARQVJLKHKA-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.60
Rot. Bonds3

About tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate (PubChem CID 103801756) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
PubChem CID103801756
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-10-7-13(12-19)17-11-14(20)18-8-5-4-6-9-18/h13,17H,4-12H2,1-3H3
InChIKeyQHBLARQVJLKHKA-UHFFFAOYSA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107239420
tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
CID 97056058
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
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tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
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CID 107249438
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 3-[(2-methylcyclopentyl)methylamino]pyrrolidine-1-carboxylate
CID 107416977
tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
CID 103828072
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate (CID 103801756) is tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC(=O)N2CCCCC2)C1.
What is the InChIKey of tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is QHBLARQVJLKHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-10-7-13(12-19)17-11-14(20)18-8-5-4-6-9-18/h13,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103801756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).