3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one

C17H22N2O3 — CID 45227938

IUPAC3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCOC1CCN(C(=O)C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C17H22N2O3/c1-22-14-7-10-18(11-8-14)16(20)15-9-12-19(17(15)21)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyUUKKJMKUBKIOPU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.68
Rot. Bonds3

About 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one

3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 45227938) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID45227938
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCOC1CCN(C(=O)C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C17H22N2O3/c1-22-14-7-10-18(11-8-14)16(20)15-9-12-19(17(15)21)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyUUKKJMKUBKIOPU-UHFFFAOYSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25369435
(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699
(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25452099
1-(4-chlorophenyl)-3-[4-(2-methylpropoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 86829976
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 119547074
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
(3S)-1-[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703381

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 45227938) is 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one is COC1CCN(C(=O)C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is UUKKJMKUBKIOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-14-7-10-18(11-8-14)16(20)15-9-12-19(17(15)21)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one?
3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 45227938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).