[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate

C16H26N2O5 — CID 67550729

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-10-6-13(7-11-18)22-14(20)17-8-4-12(19)5-9-17/h13H,4-11H2,1-3H3
InChIKeyWSRWTWKEWOPUQN-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.19
Rot. Bonds1

About [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate

[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate (PubChem CID 67550729) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate
PubChem CID67550729
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-10-6-13(7-11-18)22-14(20)17-8-4-12(19)5-9-17/h13H,4-11H2,1-3H3
InChIKeyWSRWTWKEWOPUQN-UHFFFAOYSA-N
XLogP2.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate (CID 67550729) is [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC(=O)N2CCC(=O)CC2)CC1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate?
The InChIKey is WSRWTWKEWOPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-10-6-13(7-11-18)22-14(20)17-8-4-12(19)5-9-17/h13H,4-11H2,1-3H3.
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate?
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 67550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).