(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

C28H33N3O3 — CID 42452625

IUPAC(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1[C@]1(CC(=O)N2CCC(c3ccncc3)CC2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C28H33N3O3/c1-20-6-2-5-9-24(20)28(19-26(33)31(27(28)34)23-7-3-4-8-23)18-25(32)30-16-12-22(13-17-30)21-10-14-29-15-11-21/h2,5-6,9-11,14-15,22-23H,3-4,7-8,12-13,16-19H2,1H3/t28-/m0/s1
InChIKeyIVSLZNGBGLXUAS-NDEPHWFRSA-N
MW459.59 g/mol
LogP4.13
Rot. Bonds5

About (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 42452625) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID42452625
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1[C@]1(CC(=O)N2CCC(c3ccncc3)CC2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C28H33N3O3/c1-20-6-2-5-9-24(20)28(19-26(33)31(27(28)34)23-7-3-4-8-23)18-25(32)30-16-12-22(13-17-30)21-10-14-29-15-11-21/h2,5-6,9-11,14-15,22-23H,3-4,7-8,12-13,16-19H2,1H3/t28-/m0/s1
InChIKeyIVSLZNGBGLXUAS-NDEPHWFRSA-N
XLogP4.13
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42169235
1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
CID 45251128
3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-3-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45185282
(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide
CID 45165519
ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26274347
methyl 2-[[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 45181307
ethyl (3S)-1-[2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42343832
3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45181491
(3R)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248146
(3S)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248144
3-(2-methylphenyl)-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45214420
1-(2-methoxyethyl)-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 118755128

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 42452625) is (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is Cc1ccccc1[C@]1(CC(=O)N2CCC(c3ccncc3)CC2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is IVSLZNGBGLXUAS-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-20-6-2-5-9-24(20)28(19-26(33)31(27(28)34)23-7-3-4-8-23)18-25(32)30-16-12-22(13-17-30)21-10-14-29-15-11-21/h2,5-6,9-11,14-15,22-23H,3-4,7-8,12-13,16-19H2,1H3/t28-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 459.59 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42452625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).