1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine

C28H30N4O2 — CID 155194332

IUPAC1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C28H30N4O2/c1-29-16-20-2-4-23(5-3-20)27-28(24-8-6-22(7-9-24)25-12-15-33-19-25)32-26(17-31-27)34-18-21-10-13-30-14-11-21/h2-9,12,15,17,19,21,29-30H,10-11,13-14,16,18H2,1H3
InChIKeyDWLNIKROQOYAQD-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.17
Rot. Bonds8

About 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine

1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine (PubChem CID 155194332) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine
PubChem CID155194332
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C28H30N4O2/c1-29-16-20-2-4-23(5-3-20)27-28(24-8-6-22(7-9-24)25-12-15-33-19-25)32-26(17-31-27)34-18-21-10-13-30-14-11-21/h2-9,12,15,17,19,21,29-30H,10-11,13-14,16,18H2,1H3
InChIKeyDWLNIKROQOYAQD-UHFFFAOYSA-N
XLogP5.17
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine (CID 155194332) is 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine is CNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine?
The InChIKey is DWLNIKROQOYAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-29-16-20-2-4-23(5-3-20)27-28(24-8-6-22(7-9-24)25-12-15-33-19-25)32-26(17-31-27)34-18-21-10-13-30-14-11-21/h2-9,12,15,17,19,21,29-30H,10-11,13-14,16,18H2,1H3.
What are the key properties of 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine?
1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine has a molecular weight of 454.57 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 155194332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).