4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide

C24H27N5O2 — CID 129130567

IUPAC4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide
SMILESCc1ccc(-c2c(-c3ccc(C(N)=O)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H27N5O2/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)22(26)30)27-23(24(31)28(21)2)29-13-11-19(25)12-14-29/h3-10,19H,11-14,25H2,1-2H3,(H2,26,30)
InChIKeyNDHBITIXKYVEDB-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.45
Rot. Bonds4

About 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide

4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide (PubChem CID 129130567) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide
PubChem CID129130567
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide
SMILESCc1ccc(-c2c(-c3ccc(C(N)=O)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H27N5O2/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)22(26)30)27-23(24(31)28(21)2)29-13-11-19(25)12-14-29/h3-10,19H,11-14,25H2,1-2H3,(H2,26,30)
InChIKeyNDHBITIXKYVEDB-UHFFFAOYSA-N
XLogP2.45
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide (CID 129130567) is 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide is Cc1ccc(-c2c(-c3ccc(C(N)=O)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide?
The InChIKey is NDHBITIXKYVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)22(26)30)27-23(24(31)28(21)2)29-13-11-19(25)12-14-29/h3-10,19H,11-14,25H2,1-2H3,(H2,26,30).
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide?
4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)-4-methyl-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzamide is sourced from PubChem (CID 129130567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).