ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate

C16H21NO3 — CID 11471356

IUPACethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)CCN1[C@H](C)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-20-16(19)15-11-14(18)9-10-17(15)12(2)13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3/t12-,15+/m1/s1
InChIKeyNBEKGGMUQQQBFX-DOMZBBRYSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds4

About ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate

ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate (PubChem CID 11471356) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate
PubChem CID11471356
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)CCN1[C@H](C)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-20-16(19)15-11-14(18)9-10-17(15)12(2)13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3/t12-,15+/m1/s1
InChIKeyNBEKGGMUQQQBFX-DOMZBBRYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate (CID 11471356) is ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CC(=O)CCN1[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate?
The InChIKey is NBEKGGMUQQQBFX-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-20-16(19)15-11-14(18)9-10-17(15)12(2)13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate?
ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylate is sourced from PubChem (CID 11471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).