4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one

C22H26N2O2 — CID 118779442

IUPAC4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(CN2CCC(O)(c3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-21-15-18(17-24(21)20-9-5-2-6-10-20)16-23-13-11-22(26,12-14-23)19-7-3-1-4-8-19/h1-10,18,26H,11-17H2
InChIKeyHMMLMTPWJJWGOZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.02
Rot. Bonds4

About 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one

4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one (PubChem CID 118779442) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
PubChem CID118779442
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(CN2CCC(O)(c3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-21-15-18(17-24(21)20-9-5-2-6-10-20)16-23-13-11-22(26,12-14-23)19-7-3-1-4-8-19/h1-10,18,26H,11-17H2
InChIKeyHMMLMTPWJJWGOZ-UHFFFAOYSA-N
XLogP3.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
CID 125173786
4-[(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 139667705
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125156440
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
2-[4-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 125171216
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
(4S)-1-phenyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrolidin-2-one
CID 125156467
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
4-[(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 134701482
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one (CID 118779442) is 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one is O=C1CC(CN2CCC(O)(c3ccccc3)CC2)CN1c1ccccc1.
What is the InChIKey of 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is HMMLMTPWJJWGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21-15-18(17-24(21)20-9-5-2-6-10-20)16-23-13-11-22(26,12-14-23)19-7-3-1-4-8-19/h1-10,18,26H,11-17H2.
What are the key properties of 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one?
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 118779442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).