tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate

C17H30N2O4 — CID 53256440

IUPACtert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)18-12-13-4-8-19(9-5-13)15(20)14-6-10-22-11-7-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyHCIBIJXPFSNDDF-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.18
Rot. Bonds3

About tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate (PubChem CID 53256440) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate
PubChem CID53256440
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)18-12-13-4-8-19(9-5-13)15(20)14-6-10-22-11-7-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyHCIBIJXPFSNDDF-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate (CID 53256440) is tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is HCIBIJXPFSNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)18-12-13-4-8-19(9-5-13)15(20)14-6-10-22-11-7-14/h13-14H,4-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 53256440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).