4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide

C27H26N4O3 — CID 155194378

IUPAC4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C27H26N4O3/c28-27(32)22-7-5-20(6-8-22)25-26(21-3-1-19(2-4-21)23-11-14-33-17-23)31-24(15-30-25)34-16-18-9-12-29-13-10-18/h1-8,11,14-15,17-18,29H,9-10,12-13,16H2,(H2,28,32)
InChIKeyBBAHHGUKMNYZTL-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.55
Rot. Bonds7

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

4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide (PubChem CID 155194378) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide
PubChem CID155194378
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C27H26N4O3/c28-27(32)22-7-5-20(6-8-22)25-26(21-3-1-19(2-4-21)23-11-14-33-17-23)31-24(15-30-25)34-16-18-9-12-29-13-10-18/h1-8,11,14-15,17-18,29H,9-10,12-13,16H2,(H2,28,32)
InChIKeyBBAHHGUKMNYZTL-UHFFFAOYSA-N
XLogP4.55
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide?
The IUPAC name of 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide (CID 155194378) is 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide?
The InChIKey is BBAHHGUKMNYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c28-27(32)22-7-5-20(6-8-22)25-26(21-3-1-19(2-4-21)23-11-14-33-17-23)31-24(15-30-25)34-16-18-9-12-29-13-10-18/h1-8,11,14-15,17-18,29H,9-10,12-13,16H2,(H2,28,32).
What are the key properties of 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide?
4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzamide is sourced from PubChem (CID 155194378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).