[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone

C17H19ClN4O2 — CID 35800442

IUPAC[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN4O2/c18-14-3-1-2-4-16(14)24-12-11-21-7-9-22(10-8-21)17(23)15-13-19-5-6-20-15/h1-6,13H,7-12H2
InChIKeyXIIRDYBVEUNWPO-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.97
Rot. Bonds5

About [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone

[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 35800442) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID35800442
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN4O2/c18-14-3-1-2-4-16(14)24-12-11-21-7-9-22(10-8-21)17(23)15-13-19-5-6-20-15/h1-6,13H,7-12H2
InChIKeyXIIRDYBVEUNWPO-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carboxamide
CID 44425944
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425945
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-ethylpyrazine-2-carboxamide
CID 44425946
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 44425950
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 44425952
3-[[2-[4-(2,6-dichlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425971
3-[[2-[4-(2-chloro-6-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425972
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
Methyl 6-[(2,4-dichlorophenoxy)methyl]-2-pyrazinecarboxylate
CID 155153755

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone (CID 35800442) is [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is XIIRDYBVEUNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-3-1-2-4-16(14)24-12-11-21-7-9-22(10-8-21)17(23)15-13-19-5-6-20-15/h1-6,13H,7-12H2.
What are the key properties of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 346.82 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 35800442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).