[(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate

C15H24N2O4 — CID 99617827

IUPAC[(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate
SMILESCC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)[C@@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C15H24N2O4/c1-15(2)11-10(5-7-20-11)12(15)21-13(18)9-4-3-6-17(8-9)14(16)19/h9-12H,3-8H2,1-2H3,(H2,16,19)/t9-,10+,11-,12+/m1/s1
InChIKeyKYYGKSMRVCLKJK-KXNHARMFSA-N
MW296.37 g/mol
LogP1.13
Rot. Bonds2

About [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate

[(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate (PubChem CID 99617827) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate
PubChem CID99617827
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate
SMILESCC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)[C@@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C15H24N2O4/c1-15(2)11-10(5-7-20-11)12(15)21-13(18)9-4-3-6-17(8-9)14(16)19/h9-12H,3-8H2,1-2H3,(H2,16,19)/t9-,10+,11-,12+/m1/s1
InChIKeyKYYGKSMRVCLKJK-KXNHARMFSA-N
XLogP1.13
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate with MolForge

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Related Compounds

methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl] thiane-4-carboxylate
CID 100899103
2-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl (3S)-1-carbamoylpiperidine-3-carboxylate
CID 124857372
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-propylamino]-1-piperidin-1-ylethanone
CID 124867178
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
[(3S)-hept-6-yn-3-yl] (3R)-1-carbamoylpiperidine-3-carboxylate
CID 97025607
3-methylpiperidine-1-carboxamide
CID 16786142
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate?
The IUPAC name of [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate (CID 99617827) is [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate.
What is the SMILES notation for [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate?
The canonical SMILES for [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate is CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)[C@@H]1CCCN(C(N)=O)C1.
What is the InChIKey of [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate?
The InChIKey is KYYGKSMRVCLKJK-KXNHARMFSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2)11-10(5-7-20-11)12(15)21-13(18)9-4-3-6-17(8-9)14(16)19/h9-12H,3-8H2,1-2H3,(H2,16,19)/t9-,10+,11-,12+/m1/s1.
What are the key properties of [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate?
[(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] (3R)-1-carbamoylpiperidine-3-carboxylate is sourced from PubChem (CID 99617827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).