benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate

C18H25NO3 — CID 134945068

IUPACbenzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)C[C@H]1CCC(C)(C)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO3/c1-14(20)11-16-9-10-18(2,3)13-19(16)17(21)22-12-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3/t16-/m1/s1
InChIKeyOXWCGHWYNYCCKH-MRXNPFEDSA-N
MW303.40 g/mol
LogP3.79
Rot. Bonds4

About benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate

benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 134945068) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID134945068
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namebenzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)C[C@H]1CCC(C)(C)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO3/c1-14(20)11-16-9-10-18(2,3)13-19(16)17(21)22-12-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3/t16-/m1/s1
InChIKeyOXWCGHWYNYCCKH-MRXNPFEDSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate (CID 134945068) is benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate is CC(=O)C[C@H]1CCC(C)(C)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is OXWCGHWYNYCCKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(20)11-16-9-10-18(2,3)13-19(16)17(21)22-12-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3/t16-/m1/s1.
What are the key properties of benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate?
benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-5,5-dimethyl-2-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 134945068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).