(4R,5R)-5-ethyl-4-phenylpiperidin-2-one

C13H17NO — CID 101133780

IUPAC(4R,5R)-5-ethyl-4-phenylpiperidin-2-one
SMILESCC[C@H]1CNC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-10-9-14-13(15)8-12(10)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyYMRUKKOBVDCPRF-CMPLNLGQSA-N
MW203.29 g/mol
LogP2.32
Rot. Bonds2

About (4R,5R)-5-ethyl-4-phenylpiperidin-2-one

(4R,5R)-5-ethyl-4-phenylpiperidin-2-one (PubChem CID 101133780) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4R,5R)-5-ethyl-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethyl-4-phenylpiperidin-2-one
PubChem CID101133780
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4R,5R)-5-ethyl-4-phenylpiperidin-2-one
SMILESCC[C@H]1CNC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-10-9-14-13(15)8-12(10)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyYMRUKKOBVDCPRF-CMPLNLGQSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
3-ethyl-4-phenylpiperidine
CID 56828112
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
4-ethyl-3-phenylpiperidine
CID 175022073
4-(1-phenylpropyl)pyrrolidin-2-one
CID 122156868
(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 124705684
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
CID 71351344
2,7-diphenyl-1,4-diazepan-5-one
CID 10264918
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
5-amino-4-(2-bromophenyl)piperidin-2-one
CID 82625426
3-benzyl-4-ethylpyrrolidin-2-one;ethane
CID 142181453

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethyl-4-phenylpiperidin-2-one?
The IUPAC name of (4R,5R)-5-ethyl-4-phenylpiperidin-2-one (CID 101133780) is (4R,5R)-5-ethyl-4-phenylpiperidin-2-one.
What is the SMILES notation for (4R,5R)-5-ethyl-4-phenylpiperidin-2-one?
The canonical SMILES for (4R,5R)-5-ethyl-4-phenylpiperidin-2-one is CC[C@H]1CNC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-5-ethyl-4-phenylpiperidin-2-one?
The InChIKey is YMRUKKOBVDCPRF-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-10-9-14-13(15)8-12(10)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,14,15)/t10-,12+/m0/s1.
What are the key properties of (4R,5R)-5-ethyl-4-phenylpiperidin-2-one?
(4R,5R)-5-ethyl-4-phenylpiperidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethyl-4-phenylpiperidin-2-one is sourced from PubChem (CID 101133780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).