(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione

C27H31N3O6 — CID 26334017

IUPAC(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc([C@@]2(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C27H31N3O6/c1-35-21-9-4-6-19(16-21)27(18-24(32)30(26(27)34)20-7-2-3-8-20)17-23(31)28-11-13-29(14-12-28)25(33)22-10-5-15-36-22/h4-6,9-10,15-16,20H,2-3,7-8,11-14,17-18H2,1H3/t27-/m1/s1
InChIKeyLHYDMGWHYGMFHU-HHHXNRCGSA-N
MW493.56 g/mol
LogP2.60
Rot. Bonds6

About (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione

(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 26334017) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID26334017
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc([C@@]2(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C27H31N3O6/c1-35-21-9-4-6-19(16-21)27(18-24(32)30(26(27)34)20-7-2-3-8-20)17-23(31)28-11-13-29(14-12-28)25(33)22-10-5-15-36-22/h4-6,9-10,15-16,20H,2-3,7-8,11-14,17-18H2,1H3/t27-/m1/s1
InChIKeyLHYDMGWHYGMFHU-HHHXNRCGSA-N
XLogP2.60
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-N,N-diethylpiperidine-4-carboxamide
CID 42383240
(3R)-3-[2-[(3R)-3-acetylpiperidin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42367901
(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 26336784
3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45181491
1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 126464088
1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45172329
methyl 1-[2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-4-carboxylate
CID 45177865
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
(3R)-3-[2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 26345829
2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118759644
ethyl 4-[2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45209109
ethyl 4-[2-[(3S)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 26342803

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 26334017) is (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc([C@@]2(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC(=O)N(C3CCCC3)C2=O)c1.
What is the InChIKey of (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is LHYDMGWHYGMFHU-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-35-21-9-4-6-19(16-21)27(18-24(32)30(26(27)34)20-7-2-3-8-20)17-23(31)28-11-13-29(14-12-28)25(33)22-10-5-15-36-22/h4-6,9-10,15-16,20H,2-3,7-8,11-14,17-18H2,1H3/t27-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 493.56 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 26334017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).