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

C27H30ClN3O3 — CID 42169235

IUPAC(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C(C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C27H30ClN3O3/c28-23-8-4-3-7-22(23)27(18-25(33)31(26(27)34)21-5-1-2-6-21)17-24(32)30-15-11-20(12-16-30)19-9-13-29-14-10-19/h3-4,7-10,13-14,20-21H,1-2,5-6,11-12,15-18H2/t27-/m1/s1
InChIKeyQSAPJIZXDCOUCV-HHHXNRCGSA-N
MW480.01 g/mol
LogP4.47
Rot. Bonds5

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

(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 42169235) has the molecular formula C27H30ClN3O3 and a molecular weight of 480.01 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID42169235
Molecular FormulaC27H30ClN3O3
Molecular Weight480.01 g/mol
Exact Mass479.20
IUPAC Name(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C(C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C27H30ClN3O3/c28-23-8-4-3-7-22(23)27(18-25(33)31(26(27)34)21-5-1-2-6-21)17-24(32)30-15-11-20(12-16-30)19-9-13-29-14-10-19/h3-4,7-10,13-14,20-21H,1-2,5-6,11-12,15-18H2/t27-/m1/s1
InChIKeyQSAPJIZXDCOUCV-HHHXNRCGSA-N
XLogP4.47
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.47
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

(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42452625
1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
CID 45251128
3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45181491
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 26281154
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-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45183466
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42189960
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 42500376
2-[3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-N-propylacetamide
CID 45192834
3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-3-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45185282
(3S)-3-[2-(azepan-1-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,5-dione
CID 42163290
2-[3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 118756108

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 42169235) is (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is O=C(C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is QSAPJIZXDCOUCV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30ClN3O3/c28-23-8-4-3-7-22(23)27(18-25(33)31(26(27)34)21-5-1-2-6-21)17-24(32)30-15-11-20(12-16-30)19-9-13-29-14-10-19/h3-4,7-10,13-14,20-21H,1-2,5-6,11-12,15-18H2/t27-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 480.01 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42169235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).