4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C18H24N2O3 — CID 90505007

IUPAC4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCOCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O3/c1-23-13-14-6-5-9-19(11-14)18(22)15-10-17(21)20(12-15)16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,9-13H2,1H3
InChIKeyVMMUTASUNZKJHH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.92
Rot. Bonds4

About 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 90505007) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID90505007
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCOCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O3/c1-23-13-14-6-5-9-19(11-14)18(22)15-10-17(21)20(12-15)16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,9-13H2,1H3
InChIKeyVMMUTASUNZKJHH-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
4-ethyl-3-[[(3R)-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 100675396
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
N-(2-methoxyethyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118564
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 90505007) is 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is COCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3)C2)C1.
What is the InChIKey of 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is VMMUTASUNZKJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-13-14-6-5-9-19(11-14)18(22)15-10-17(21)20(12-15)16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,9-13H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 90505007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).