N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide

C24H26N4O2 — CID 46394278

IUPACN-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1C
InChIInChI=1S/C24H26N4O2/c1-17-6-9-20(16-18(17)2)27-23(29)19-7-10-21(11-8-19)30-24-22(25-12-13-26-24)28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
InChIKeyDVBABJQLDLUMDL-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.13
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide

N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide (PubChem CID 46394278) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
PubChem CID46394278
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1C
InChIInChI=1S/C24H26N4O2/c1-17-6-9-20(16-18(17)2)27-23(29)19-7-10-21(11-8-19)30-24-22(25-12-13-26-24)28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
InChIKeyDVBABJQLDLUMDL-UHFFFAOYSA-N
XLogP5.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide (CID 46394278) is N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide is Cc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
The InChIKey is DVBABJQLDLUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-6-9-20(16-18(17)2)27-23(29)19-7-10-21(11-8-19)30-24-22(25-12-13-26-24)28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide has a molecular weight of 402.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 46394278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).