4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine

C26H32N4O2S — CID 140983723

IUPAC4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
SMILESc1ccc(C2(N3CCOCC3)N(N3CCCCC3)CCC2(c2ccco2)c2cccs2)nc1
InChIInChI=1S/C26H32N4O2S/c1-4-13-29(14-5-1)30-15-11-25(23-9-6-18-32-23,24-10-7-21-33-24)26(30,22-8-2-3-12-27-22)28-16-19-31-20-17-28/h2-3,6-10,12,18,21H,1,4-5,11,13-17,19-20H2
InChIKeyOOFYATKDHLKOLL-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.31
Rot. Bonds5

About 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine

4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine (PubChem CID 140983723) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
PubChem CID140983723
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
SMILESc1ccc(C2(N3CCOCC3)N(N3CCCCC3)CCC2(c2ccco2)c2cccs2)nc1
InChIInChI=1S/C26H32N4O2S/c1-4-13-29(14-5-1)30-15-11-25(23-9-6-18-32-23,24-10-7-21-33-24)26(30,22-8-2-3-12-27-22)28-16-19-31-20-17-28/h2-3,6-10,12,18,21H,1,4-5,11,13-17,19-20H2
InChIKeyOOFYATKDHLKOLL-UHFFFAOYSA-N
XLogP4.31
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine
CID 140978872
4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
CID 140983712
6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine
CID 141008291
2-(2-Thiophen-2-ylfuran-3-yl)pyridine
CID 141025131
2,3-Bis[furan-2-yl(thiophen-2-yl)methyl]pyridine
CID 141174094
[4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 157428940
3-(2,2-Dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene
CID 158528773
1,2-Ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);2,3-ditert-butylthiophene
CID 158722519
2,3-Ditert-butylfuran;2,3-ditert-butylpyrazine;2,3-ditert-butylthiophene;bis(2,3-di(propan-2-yl)pyridine)
CID 159041552
2-Tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 160783773

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine?
The IUPAC name of 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine (CID 140983723) is 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine?
The canonical SMILES for 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine is c1ccc(C2(N3CCOCC3)N(N3CCCCC3)CCC2(c2ccco2)c2cccs2)nc1.
What is the InChIKey of 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine?
The InChIKey is OOFYATKDHLKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-4-13-29(14-5-1)30-15-11-25(23-9-6-18-32-23,24-10-7-21-33-24)26(30,22-8-2-3-12-27-22)28-16-19-31-20-17-28/h2-3,6-10,12,18,21H,1,4-5,11,13-17,19-20H2.
What are the key properties of 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine?
4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine has a molecular weight of 464.64 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1-piperidin-1-yl-2-pyridin-2-yl-3-thiophen-2-ylpyrrolidin-2-yl]morpholine is sourced from PubChem (CID 140983723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).