propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate

C14H25NO3 — CID 143612412

IUPACpropan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate
SMILESCCC[C@@H]1CC(=O)C[C@H](CC)N1C(=O)OC(C)C
InChIInChI=1S/C14H25NO3/c1-5-7-12-9-13(16)8-11(6-2)15(12)14(17)18-10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyNVYTVVBUSYUFOE-NWDGAFQWSA-N
MW255.36 g/mol
LogP3.14
Rot. Bonds4

About propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate

propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate (PubChem CID 143612412) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate
PubChem CID143612412
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namepropan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate
SMILESCCC[C@@H]1CC(=O)C[C@H](CC)N1C(=O)OC(C)C
InChIInChI=1S/C14H25NO3/c1-5-7-12-9-13(16)8-11(6-2)15(12)14(17)18-10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyNVYTVVBUSYUFOE-NWDGAFQWSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate (CID 143612412) is propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate is CCC[C@@H]1CC(=O)C[C@H](CC)N1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate?
The InChIKey is NVYTVVBUSYUFOE-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-7-12-9-13(16)8-11(6-2)15(12)14(17)18-10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate?
propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate is sourced from PubChem (CID 143612412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).