2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride

C30H28ClN3O3 — CID 155194512

IUPAC2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
SMILESCl.c1coc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccco4)cc3)cc2)c1
InChIInChI=1S/C30H27N3O3.ClH/c1-3-26(34-17-1)22-5-9-24(10-6-22)29-30(25-11-7-23(8-12-25)27-4-2-18-35-27)33-28(19-32-29)36-20-21-13-15-31-16-14-21;/h1-12,17-19,21,31H,13-16,20H2;1H
InChIKeyUUEPCWDHHKMVMC-UHFFFAOYSA-N
MW514.03 g/mol
LogP7.13
Rot. Bonds7

About 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride

2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride (PubChem CID 155194512) has the molecular formula C30H28ClN3O3 and a molecular weight of 514.03 g/mol. Its IUPAC name is 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride.

Molecular Properties

Compound Name2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
PubChem CID155194512
Molecular FormulaC30H28ClN3O3
Molecular Weight514.03 g/mol
Exact Mass513.18
IUPAC Name2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
SMILESCl.c1coc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccco4)cc3)cc2)c1
InChIInChI=1S/C30H27N3O3.ClH/c1-3-26(34-17-1)22-5-9-24(10-6-22)29-30(25-11-7-23(8-12-25)27-4-2-18-35-27)33-28(19-32-29)36-20-21-13-15-31-16-14-21;/h1-12,17-19,21,31H,13-16,20H2;1H
InChIKeyUUEPCWDHHKMVMC-UHFFFAOYSA-N
XLogP7.13
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.03
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride?
The IUPAC name of 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride (CID 155194512) is 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride.
What is the SMILES notation for 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride?
The canonical SMILES for 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride is Cl.c1coc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccco4)cc3)cc2)c1.
What is the InChIKey of 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride?
The InChIKey is UUEPCWDHHKMVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3.ClH/c1-3-26(34-17-1)22-5-9-24(10-6-22)29-30(25-11-7-23(8-12-25)27-4-2-18-35-27)33-28(19-32-29)36-20-21-13-15-31-16-14-21;/h1-12,17-19,21,31H,13-16,20H2;1H.
What are the key properties of 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride?
2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride has a molecular weight of 514.03 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride is sourced from PubChem (CID 155194512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).