[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

C17H20N2O4 — CID 35738120

IUPAC[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESCC(=O)[C@@H](C)OC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O4/c1-11(20)12(2)22-16(21)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)23-17/h3-6,12-13H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyYOAHITUAJDHLCT-GFCCVEGCSA-N
MW316.36 g/mol
LogP2.56
Rot. Bonds4

About [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (PubChem CID 35738120) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
PubChem CID35738120
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESCC(=O)[C@@H](C)OC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O4/c1-11(20)12(2)22-16(21)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)23-17/h3-6,12-13H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyYOAHITUAJDHLCT-GFCCVEGCSA-N
XLogP2.56
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 26037244
2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 78846667
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
[1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 42933616
3-methoxypropyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 60562732
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 121107967
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46685004

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (CID 35738120) is [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is CC(=O)[C@@H](C)OC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The InChIKey is YOAHITUAJDHLCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(20)12(2)22-16(21)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)23-17/h3-6,12-13H,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 35738120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).