N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide

C25H29N5O2 — CID 86959598

IUPACN-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1cncc(N2CCN(CC(=O)NC(Cc3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H29N5O2/c1-32-25-18-26-17-23(28-25)30-14-12-29(13-15-30)19-24(31)27-22(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-11,17-18,22H,12-16,19H2,1H3,(H,27,31)
InChIKeyOFRSDTIHEXPMHZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.71
Rot. Bonds8

About N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide

N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide (PubChem CID 86959598) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
PubChem CID86959598
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1cncc(N2CCN(CC(=O)NC(Cc3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H29N5O2/c1-32-25-18-26-17-23(28-25)30-14-12-29(13-15-30)19-24(31)27-22(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-11,17-18,22H,12-16,19H2,1H3,(H,27,31)
InChIKeyOFRSDTIHEXPMHZ-UHFFFAOYSA-N
XLogP2.71
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide (CID 86959598) is N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide is COc1cncc(N2CCN(CC(=O)NC(Cc3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is OFRSDTIHEXPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-32-25-18-26-17-23(28-25)30-14-12-29(13-15-30)19-24(31)27-22(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-11,17-18,22H,12-16,19H2,1H3,(H,27,31).
What are the key properties of N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86959598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).