2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine

C25H32N4O2S — CID 91402246

IUPAC2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine
SMILESc1c[nH]c(C2CNC(N3CCCCC3)(N3CCCC3)C(c3ccco3)(c3cccs3)O2)c1
InChIInChI=1S/C25H32N4O2S/c1-2-13-28(14-3-1)25(29-15-4-5-16-29)24(22-10-7-17-30-22,23-11-8-18-32-23)31-21(19-27-25)20-9-6-12-26-20/h6-12,17-18,21,26-27H,1-5,13-16,19H2
InChIKeyKJUFMXYSNRMGOD-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.51
Rot. Bonds5

About 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine

2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine (PubChem CID 91402246) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine
PubChem CID91402246
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC Name2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine
SMILESc1c[nH]c(C2CNC(N3CCCCC3)(N3CCCC3)C(c3ccco3)(c3cccs3)O2)c1
InChIInChI=1S/C25H32N4O2S/c1-2-13-28(14-3-1)25(29-15-4-5-16-29)24(22-10-7-17-30-22,23-11-8-18-32-23)31-21(19-27-25)20-9-6-12-26-20/h6-12,17-18,21,26-27H,1-5,13-16,19H2
InChIKeyKJUFMXYSNRMGOD-UHFFFAOYSA-N
XLogP4.51
TPSA56.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
CID 140987563
benzyl 3-methylbutanoate;ethane;1-(furan-2-yl)ethyl 3-methylbutanoate;furan-2-ylmethyl 3-methylbutanoate;2-(furan-2-yl)propan-2-yl 3-methylbutanoate;N-methoxy-5-methylhexan-3-imine;N-(5-methylhexan-3-ylidene)hydroxylamine;1-phenylethyl 3-methylbutanoate;2-phenylpropan-2-yl 3-methylbutanoate;1-(1H-pyrrol-2-yl)ethyl 3-methylbutanoate;1H-pyrrol-2-ylmethyl 3-methylbutanoate;1-thiophen-2-ylethyl 3-methylbutanoate;thiophen-2-ylmethyl 3-methylbutanoate;2-thiophen-2-ylpropan-2-yl 3-methylbutanoate
CID 159622765

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine (CID 91402246) is 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine is c1c[nH]c(C2CNC(N3CCCCC3)(N3CCCC3)C(c3ccco3)(c3cccs3)O2)c1.
What is the InChIKey of 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine?
The InChIKey is KJUFMXYSNRMGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-2-13-28(14-3-1)25(29-15-4-5-16-29)24(22-10-7-17-30-22,23-11-8-18-32-23)31-21(19-27-25)20-9-6-12-26-20/h6-12,17-18,21,26-27H,1-5,13-16,19H2.
What are the key properties of 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine?
2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine has a molecular weight of 452.62 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-piperidin-1-yl-3-pyrrolidin-1-yl-6-(1H-pyrrol-2-yl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 91402246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).