benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate

C24H32N6O3 — CID 122336159

About benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate

benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate (PubChem CID 122336159) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
• PubChem CID: 122336159
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
• SMILES: CC1CCN(c2ccc(N3CCN(C(=O)CNC(=O)OCc4ccccc4)CC3)nn2)CC1
• InChI: InChI=1S/C24H32N6O3/c1-19-9-11-28(12-10-19)21-7-8-22(27-26-21)29-13-15-30(16-14-29)23(31)17-25-24(32)33-18-20-5-3-2-4-6-20/h2-8,19H,9-18H2,1H3,(H,25,32)
• InChIKey: NTMCXEQKAMCMDW-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate (CID 122336159) is benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate is CC1CCN(c2ccc(N3CCN(C(=O)CNC(=O)OCc4ccccc4)CC3)nn2)CC1.

What is the InChIKey of benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?

The InChIKey is NTMCXEQKAMCMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-19-9-11-28(12-10-19)21-7-8-22(27-26-21)29-13-15-30(16-14-29)23(31)17-25-24(32)33-18-20-5-3-2-4-6-20/h2-8,19H,9-18H2,1H3,(H,25,32).

What are the key properties of benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?

benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 452.56 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 122336159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).