3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

C26H30ClN3O4 — CID 45184605

IUPAC3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOCCCN1C(=O)CC(CC(=O)N2CCCCC2c2cccnc2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C26H30ClN3O4/c1-34-15-7-14-30-24(32)17-26(25(30)33,20-9-2-3-10-21(20)27)16-23(31)29-13-5-4-11-22(29)19-8-6-12-28-18-19/h2-3,6,8-10,12,18,22H,4-5,7,11,13-17H2,1H3
InChIKeyUZSMMYLGEYYZEO-UHFFFAOYSA-N
MW484.00 g/mol
LogP3.91
Rot. Bonds8

About 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 45184605) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID45184605
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC Name3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOCCCN1C(=O)CC(CC(=O)N2CCCCC2c2cccnc2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C26H30ClN3O4/c1-34-15-7-14-30-24(32)17-26(25(30)33,20-9-2-3-10-21(20)27)16-23(31)29-13-5-4-11-22(29)19-8-6-12-28-18-19/h2-3,6,8-10,12,18,22H,4-5,7,11,13-17H2,1H3
InChIKeyUZSMMYLGEYYZEO-UHFFFAOYSA-N
XLogP3.91
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42321924
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45196749
(3R)-3-(2-chlorophenyl)-3-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
CID 42169219
(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 26279133
(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 26279132
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42168306
methyl (2S)-1-[2-[(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxylate
CID 42191101
(3S)-3-[2-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98260751
2-[(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42456455
3-[2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45223495
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 42380968
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 45184605) is 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is COCCCN1C(=O)CC(CC(=O)N2CCCCC2c2cccnc2)(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is UZSMMYLGEYYZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-34-15-7-14-30-24(32)17-26(25(30)33,20-9-2-3-10-21(20)27)16-23(31)29-13-5-4-11-22(29)19-8-6-12-28-18-19/h2-3,6,8-10,12,18,22H,4-5,7,11,13-17H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 484.00 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45184605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).