tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate

C16H28N2O4 — CID 53256460

IUPACtert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-4-5-13(11-18)17-14(19)12-6-9-21-10-7-12/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeySTXKSKQKWJNTQE-CYBMUJFWSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 53256460) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
PubChem CID53256460
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-4-5-13(11-18)17-14(19)12-6-9-21-10-7-12/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeySTXKSKQKWJNTQE-CYBMUJFWSA-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

Analyze tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl (3R)-3-[(4-cycloheptylcyclohexanecarbonyl)amino]pyrrolidine-1-carboxylate
CID 139459619
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
tert-butyl (3R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 66564157
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
CID 143233414

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate (CID 53256460) is tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2CCOCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is STXKSKQKWJNTQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-4-5-13(11-18)17-14(19)12-6-9-21-10-7-12/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(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 (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 53256460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).