tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C16H26N2O5 — CID 18526033

IUPACtert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)17-7-5-12(6-8-17)18-10-11(9-13(18)19)14(20)22-4/h11-12H,5-10H2,1-4H3
InChIKeyHDJKYBGHNCMEQO-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.41
Rot. Bonds2

About tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 18526033) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID18526033
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)17-7-5-12(6-8-17)18-10-11(9-13(18)19)14(20)22-4/h11-12H,5-10H2,1-4H3
InChIKeyHDJKYBGHNCMEQO-UHFFFAOYSA-N
XLogP1.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 18526033) is tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is COC(=O)C1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is HDJKYBGHNCMEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)17-7-5-12(6-8-17)18-10-11(9-13(18)19)14(20)22-4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 18526033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).