(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one

C22H26N2O2 — CID 125156440

IUPAC(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1C[C@@H](CN2CCC(c3cccc(O)c3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-21-8-4-5-19(14-21)18-9-11-23(12-10-18)15-17-13-22(26)24(16-17)20-6-2-1-3-7-20/h1-8,14,17-18,25H,9-13,15-16H2/t17-/m0/s1
InChIKeyLADGWXWPYMHZGH-KRWDZBQOSA-N
MW350.46 g/mol
LogP3.62
Rot. Bonds4

About (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one

(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 125156440) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
PubChem CID125156440
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1C[C@@H](CN2CCC(c3cccc(O)c3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-21-8-4-5-19(14-21)18-9-11-23(12-10-18)15-17-13-22(26)24(16-17)20-6-2-1-3-7-20/h1-8,14,17-18,25H,9-13,15-16H2/t17-/m0/s1
InChIKeyLADGWXWPYMHZGH-KRWDZBQOSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
CID 118779442
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-[[4-[3-(3-amino-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 137439534
2-[4-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 125171216
(4S)-1-phenyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrolidin-2-one
CID 125156467
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
4-[(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 134701482
formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912824
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one (CID 125156440) is (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one is O=C1C[C@@H](CN2CCC(c3cccc(O)c3)CC2)CN1c1ccccc1.
What is the InChIKey of (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is LADGWXWPYMHZGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21-8-4-5-19(14-21)18-9-11-23(12-10-18)15-17-13-22(26)24(16-17)20-6-2-1-3-7-20/h1-8,14,17-18,25H,9-13,15-16H2/t17-/m0/s1.
What are the key properties of (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 125156440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).