phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate

C16H21NO4 — CID 139263428

IUPACphenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate
SMILESCC[C@@H]1CCN(C(=O)Oc2ccccc2)C(=O)[C@H]1C(C)O
InChIInChI=1S/C16H21NO4/c1-3-12-9-10-17(15(19)14(12)11(2)18)16(20)21-13-7-5-4-6-8-13/h4-8,11-12,14,18H,3,9-10H2,1-2H3/t11?,12-,14+/m1/s1
InChIKeyAJUJPUGPISUWGO-AOUZGSJDSA-N
MW291.35 g/mol
LogP2.44
Rot. Bonds3

About phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate

phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate (PubChem CID 139263428) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate
PubChem CID139263428
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namephenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate
SMILESCC[C@@H]1CCN(C(=O)Oc2ccccc2)C(=O)[C@H]1C(C)O
InChIInChI=1S/C16H21NO4/c1-3-12-9-10-17(15(19)14(12)11(2)18)16(20)21-13-7-5-4-6-8-13/h4-8,11-12,14,18H,3,9-10H2,1-2H3/t11?,12-,14+/m1/s1
InChIKeyAJUJPUGPISUWGO-AOUZGSJDSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate?
The IUPAC name of phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate (CID 139263428) is phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate?
The canonical SMILES for phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate is CC[C@@H]1CCN(C(=O)Oc2ccccc2)C(=O)[C@H]1C(C)O.
What is the InChIKey of phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate?
The InChIKey is AJUJPUGPISUWGO-AOUZGSJDSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-12-9-10-17(15(19)14(12)11(2)18)16(20)21-13-7-5-4-6-8-13/h4-8,11-12,14,18H,3,9-10H2,1-2H3/t11?,12-,14+/m1/s1.
What are the key properties of phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate?
phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R,4R)-4-ethyl-3-(1-hydroxyethyl)-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 139263428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).