tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate

C16H28N2O4 — CID 53255664

IUPACtert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-4-13(5-9-18)17-14(19)12-6-10-21-11-7-12/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyFCCGVHANBYSCAV-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate

tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 53255664) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate
PubChem CID53255664
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-4-13(5-9-18)17-14(19)12-6-10-21-11-7-12/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyFCCGVHANBYSCAV-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-4-yl)oxane-4-carboxamide
CID 43345755
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
Tert-butyl 4-[5-[4-(methylcarbamoyl)piperidin-1-yl]-5-oxopentan-2-yl]oxypiperidine-1-carboxylate
CID 176432114
tert-butyl N-[(2S)-2-(oxane-4-carbonylamino)propyl]carbamate
CID 18647046
1-(Oxane-4-carbonyl)piperidin-4-amine
CID 43556251
Tert-butyl 4-(2-ethylbutanoylamino)piperidine-1-carboxylate
CID 52731102
N-(Piperidin-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 53255847
(S)-tert-Butyl 1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-ylcarbamate
CID 53256054
tert-Butyl 1-[(tetrahydro-2H-pyran-4-yl)methyl]piperidin-4-ylcarbamate
CID 53256266
tert-Butyl [1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl]methylcarbamate
CID 53256440
tert-butyl N-[(2R)-2-(oxane-4-carbonylamino)propyl]carbamate
CID 54173092
(R)-tert-Butyl (1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-yl)carbamate
CID 66653507

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate (CID 53255664) is tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is FCCGVHANBYSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-4-13(5-9-18)17-14(19)12-6-10-21-11-7-12/h12-13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate?
tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(oxane-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 53255664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).