5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one

C25H30N2O3 — CID 24792103

IUPAC5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(O)(c3ccccc3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C25H30N2O3/c28-23-12-11-21(19-27(23)16-13-20-7-3-1-4-8-20)24(29)26-17-14-25(30,15-18-26)22-9-5-2-6-10-22/h1-10,21,30H,11-19H2
InChIKeyMDRRELOWNBIWNU-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.98
Rot. Bonds5

About 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one

5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one (PubChem CID 24792103) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one
PubChem CID24792103
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(O)(c3ccccc3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C25H30N2O3/c28-23-12-11-21(19-27(23)16-13-20-7-3-1-4-8-20)24(29)26-17-14-25(30,15-18-26)22-9-5-2-6-10-22/h1-10,21,30H,11-19H2
InChIKeyMDRRELOWNBIWNU-UHFFFAOYSA-N
XLogP2.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Loperamide hydrochloride specified impurity D
CID 3705191
Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
CID 11328898
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885759
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885863
((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885907
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885972
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885974
[(3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 46203842
[(3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl]-[(3S,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]methanone;hydrochloride
CID 46203844
[(3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl]-[(3S,5R)-4-(2,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]methanone;hydrochloride
CID 46203845
[(3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl]-[(3S,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]methanone;hydrochloride
CID 46204174
((3R,4S)-4-(2,4-difluorophenyl)-1-propylpyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885366

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one (CID 24792103) is 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one is O=C1CCC(C(=O)N2CCC(O)(c3ccccc3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is MDRRELOWNBIWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-23-12-11-21(19-27(23)16-13-20-7-3-1-4-8-20)24(29)26-17-14-25(30,15-18-26)22-9-5-2-6-10-22/h1-10,21,30H,11-19H2.
What are the key properties of 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one?
5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 24792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).