N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

C22H35N5O2 — CID 86959400

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 86959400) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
• PubChem CID: 86959400
• Molecular Formula: C22H35N5O2
• Molecular Weight: 401.56 g/mol
• Exact Mass: 401.28
• IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
• SMILES: Cc1ccc(NC(=O)CN(C)C(=O)CN2CCN(C3CCCN(C)C3)CC2)cc1
• InChI: InChI=1S/C22H35N5O2/c1-18-6-8-19(9-7-18)23-21(28)16-25(3)22(29)17-26-11-13-27(14-12-26)20-5-4-10-24(2)15-20/h6-9,20H,4-5,10-17H2,1-3H3,(H,23,28)
• InChIKey: RHPQYANVRGLGSP-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 59.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.56
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?

The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (CID 86959400) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?

The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN2CCN(C3CCCN(C)C3)CC2)cc1.

What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?

The InChIKey is RHPQYANVRGLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-18-6-8-19(9-7-18)23-21(28)16-25(3)22(29)17-26-11-13-27(14-12-26)20-5-4-10-24(2)15-20/h6-9,20H,4-5,10-17H2,1-3H3,(H,23,28).

What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 401.56 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86959400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).