ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate

C26H34N2O5 — CID 26274347

IUPACethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C26H34N2O5/c1-3-33-24(31)21-14-8-9-15-27(21)22(29)16-26(20-13-7-4-10-18(20)2)17-23(30)28(25(26)32)19-11-5-6-12-19/h4,7,10,13,19,21H,3,5-6,8-9,11-12,14-17H2,1-2H3/t21-,26+/m0/s1
InChIKeyFDHKANPVPAZWFE-HFZDXXHNSA-N
MW454.57 g/mol
LogP3.27
Rot. Bonds6

About ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate

ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate (PubChem CID 26274347) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
PubChem CID26274347
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Nameethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C26H34N2O5/c1-3-33-24(31)21-14-8-9-15-27(21)22(29)16-26(20-13-7-4-10-18(20)2)17-23(30)28(25(26)32)19-11-5-6-12-19/h4,7,10,13,19,21H,3,5-6,8-9,11-12,14-17H2,1-2H3/t21-,26+/m0/s1
InChIKeyFDHKANPVPAZWFE-HFZDXXHNSA-N
XLogP3.27
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate (CID 26274347) is ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate?
The InChIKey is FDHKANPVPAZWFE-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-3-33-24(31)21-14-8-9-15-27(21)22(29)16-26(20-13-7-4-10-18(20)2)17-23(30)28(25(26)32)19-11-5-6-12-19/h4,7,10,13,19,21H,3,5-6,8-9,11-12,14-17H2,1-2H3/t21-,26+/m0/s1.
What are the key properties of ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate?
ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate has a molecular weight of 454.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 26274347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).