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

C19H26N2O5 — CID 126463204

IUPACmethyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CCC1(Cc2ccco2)CCC(=O)N1
InChIInChI=1S/C19H26N2O5/c1-25-18(24)15-6-2-3-11-21(15)17(23)8-10-19(9-7-16(22)20-19)13-14-5-4-12-26-14/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,22)
InChIKeyYRJFRMDGLVRJRR-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.81
Rot. Bonds6

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

methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate (PubChem CID 126463204) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
PubChem CID126463204
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CCC1(Cc2ccco2)CCC(=O)N1
InChIInChI=1S/C19H26N2O5/c1-25-18(24)15-6-2-3-11-21(15)17(23)8-10-19(9-7-16(22)20-19)13-14-5-4-12-26-14/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,22)
InChIKeyYRJFRMDGLVRJRR-UHFFFAOYSA-N
XLogP1.81
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
CID 45179438
ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
CID 42472892
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
(5S)-5-(furan-2-ylmethyl)-5-[3-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 26326601
(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42323302
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45237272
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 43409956
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
tert-butyl (2R)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 80998556
(5S)-5-[3-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 26354891
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45235007

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate (CID 126463204) is methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)CCC1(Cc2ccco2)CCC(=O)N1.
What is the InChIKey of methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate?
The InChIKey is YRJFRMDGLVRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-25-18(24)15-6-2-3-11-21(15)17(23)8-10-19(9-7-16(22)20-19)13-14-5-4-12-26-14/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,22).
What are the key properties of methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate?
methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 126463204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).