1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione

C24H32N2O5 — CID 126464088

IUPAC1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(C2(CC(=O)N3CCCCC3CO)CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C24H32N2O5/c1-31-20-11-6-7-17(13-20)24(14-21(28)25-12-5-4-10-19(25)16-27)15-22(29)26(23(24)30)18-8-2-3-9-18/h6-7,11,13,18-19,27H,2-5,8-10,12,14-16H2,1H3
InChIKeyUVHJLPULFSGWKZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.40
Rot. Bonds6

About 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione

1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 126464088) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID126464088
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(C2(CC(=O)N3CCCCC3CO)CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C24H32N2O5/c1-31-20-11-6-7-17(13-20)24(14-21(28)25-12-5-4-10-19(25)16-27)15-22(29)26(23(24)30)18-8-2-3-9-18/h6-7,11,13,18-19,27H,2-5,8-10,12,14-16H2,1H3
InChIKeyUVHJLPULFSGWKZ-UHFFFAOYSA-N
XLogP2.40
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-cyclopropyl-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 26341961
(3R)-3-[2-[(3R)-3-acetylpiperidin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42367901
1-[2-[(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-N,N-diethylpiperidine-4-carboxamide
CID 42383240
1-cyclopropyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 45188003
(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 26336784
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 45193467
(3R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42464097
ethyl 2-[(2S)-1-[2-[(3S)-1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidin-2-yl]acetate
CID 42382945
(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 26334017
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
methyl 1-[2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-4-carboxylate
CID 45177865
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 126464088) is 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(C2(CC(=O)N3CCCCC3CO)CC(=O)N(C3CCCC3)C2=O)c1.
What is the InChIKey of 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is UVHJLPULFSGWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-31-20-11-6-7-17(13-20)24(14-21(28)25-12-5-4-10-19(25)16-27)15-22(29)26(23(24)30)18-8-2-3-9-18/h6-7,11,13,18-19,27H,2-5,8-10,12,14-16H2,1H3.
What are the key properties of 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 428.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 126464088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).