3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one

C23H26N2O4 — CID 118570617

IUPAC3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(N1CCC(OCc2ccccc2)CC1)C1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O4/c26-21(23(28)13-16-25(22(23)27)19-9-5-2-6-10-19)24-14-11-20(12-15-24)29-17-18-7-3-1-4-8-18/h1-10,20,28H,11-17H2
InChIKeySFOFZJISFKGYOJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.36
Rot. Bonds5

About 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one

3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 118570617) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID118570617
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(N1CCC(OCc2ccccc2)CC1)C1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O4/c26-21(23(28)13-16-25(22(23)27)19-9-5-2-6-10-19)24-14-11-20(12-15-24)29-17-18-7-3-1-4-8-18/h1-10,20,28H,11-17H2
InChIKeySFOFZJISFKGYOJ-UHFFFAOYSA-N
XLogP2.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 118570550
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 118570617) is 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one is O=C(N1CCC(OCc2ccccc2)CC1)C1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is SFOFZJISFKGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21(23(28)13-16-25(22(23)27)19-9-5-2-6-10-19)24-14-11-20(12-15-24)29-17-18-7-3-1-4-8-18/h1-10,20,28H,11-17H2.
What are the key properties of 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one?
3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 394.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 118570617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).