N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide

C17H21N5O2 — CID 15954351

IUPACN-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide
SMILESCOc1cccc(N2CCN(CNC(=O)c3cnccn3)CC2)c1
InChIInChI=1S/C17H21N5O2/c1-24-15-4-2-3-14(11-15)22-9-7-21(8-10-22)13-20-17(23)16-12-18-5-6-19-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,23)
InChIKeyJERJLQZEBLZHFG-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.99
Rot. Bonds5

About N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide

N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide (PubChem CID 15954351) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide
PubChem CID15954351
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide
SMILESCOc1cccc(N2CCN(CNC(=O)c3cnccn3)CC2)c1
InChIInChI=1S/C17H21N5O2/c1-24-15-4-2-3-14(11-15)22-9-7-21(8-10-22)13-20-17(23)16-12-18-5-6-19-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,23)
InChIKeyJERJLQZEBLZHFG-UHFFFAOYSA-N
XLogP0.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide (CID 15954351) is N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide is COc1cccc(N2CCN(CNC(=O)c3cnccn3)CC2)c1.
What is the InChIKey of N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is JERJLQZEBLZHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-4-2-3-14(11-15)22-9-7-21(8-10-22)13-20-17(23)16-12-18-5-6-19-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,23).
What are the key properties of N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide?
N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 15954351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).