2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate

C23H25NO4 — CID 176728142

IUPAC2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate
SMILESO=C(Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)OCCc2ccccc2)C1
InChIInChI=1S/C23H25NO4/c25-21(16-19-10-5-2-6-11-19)22(26)24-14-7-12-20(17-24)23(27)28-15-13-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2/t20-/m1/s1
InChIKeyFCTMGCIOTMXUDI-HXUWFJFHSA-N
MW379.46 g/mol
LogP2.82
Rot. Bonds7

About 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate

2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate (PubChem CID 176728142) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate
PubChem CID176728142
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate
SMILESO=C(Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)OCCc2ccccc2)C1
InChIInChI=1S/C23H25NO4/c25-21(16-19-10-5-2-6-11-19)22(26)24-14-7-12-20(17-24)23(27)28-15-13-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2/t20-/m1/s1
InChIKeyFCTMGCIOTMXUDI-HXUWFJFHSA-N
XLogP2.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl 1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176728132
3-(3,4,5-trimethoxyphenyl)propyl (3R)-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176564386
ethyl 1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 3789651
ethyl (3R)-1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 939416
2-(3,4,5-trimethoxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl (3R)-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176564365
propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331
(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
CID 95382682
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
methyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate
CID 78918834
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
ethyl 1-[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994036

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate (CID 176728142) is 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate is O=C(Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)OCCc2ccccc2)C1.
What is the InChIKey of 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate?
The InChIKey is FCTMGCIOTMXUDI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25NO4/c25-21(16-19-10-5-2-6-11-19)22(26)24-14-7-12-20(17-24)23(27)28-15-13-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2/t20-/m1/s1.
What are the key properties of 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate?
2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl (3R)-1-(2-oxo-3-phenylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 176728142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).