N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

C18H23N5O — CID 18423169

IUPACN-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5O/c1-15(24)21-12-16-2-4-17(5-3-16)14-22-8-10-23(11-9-22)18-13-19-6-7-20-18/h2-7,13H,8-12,14H2,1H3,(H,21,24)
InChIKeyHBNKAWIWCPDTJE-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.43
Rot. Bonds5

About N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 18423169) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID18423169
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5O/c1-15(24)21-12-16-2-4-17(5-3-16)14-22-8-10-23(11-9-22)18-13-19-6-7-20-18/h2-7,13H,8-12,14H2,1H3,(H,21,24)
InChIKeyHBNKAWIWCPDTJE-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (CID 18423169) is N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CN2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is HBNKAWIWCPDTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-15(24)21-12-16-2-4-17(5-3-16)14-22-8-10-23(11-9-22)18-13-19-6-7-20-18/h2-7,13H,8-12,14H2,1H3,(H,21,24).
What are the key properties of N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 18423169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).