ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate

C20H28N2O5 — CID 42472892

IUPACethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)C1
InChIInChI=1S/C20H28N2O5/c1-2-26-19(25)15-5-3-11-22(14-15)18(24)8-10-20(9-7-17(23)21-20)13-16-6-4-12-27-16/h4,6,12,15H,2-3,5,7-11,13-14H2,1H3,(H,21,23)/t15-,20+/m1/s1
InChIKeyGTTYXYBNQGMNNU-QRWLVFNGSA-N
MW376.45 g/mol
LogP2.05
Rot. Bonds7

About ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate

ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 42472892) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
PubChem CID42472892
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nameethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)C1
InChIInChI=1S/C20H28N2O5/c1-2-26-19(25)15-5-3-11-22(14-15)18(24)8-10-20(9-7-17(23)21-20)13-16-6-4-12-27-16/h4,6,12,15H,2-3,5,7-11,13-14H2,1H3,(H,21,23)/t15-,20+/m1/s1
InChIKeyGTTYXYBNQGMNNU-QRWLVFNGSA-N
XLogP2.05
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

(5S)-5-(furan-2-ylmethyl)-5-[3-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 26326601
5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
CID 45179438
methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
CID 126463204
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 42238090
5-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 45188730
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-oxo-3-[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 25306534
(5S)-5-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42372930
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
2-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19494067

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate (CID 42472892) is ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)C1.
What is the InChIKey of ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is GTTYXYBNQGMNNU-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-2-26-19(25)15-5-3-11-22(14-15)18(24)8-10-20(9-7-17(23)21-20)13-16-6-4-12-27-16/h4,6,12,15H,2-3,5,7-11,13-14H2,1H3,(H,21,23)/t15-,20+/m1/s1.
What are the key properties of ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 42472892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).