1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone

C10H13IN4O — CID 122597510

IUPAC1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCN(I)CC1
InChIInChI=1S/C10H13IN4O/c11-15-5-3-14(4-6-15)10(16)7-9-8-12-1-2-13-9/h1-2,8H,3-7H2
InChIKeyDYMMSSHXMASSAM-UHFFFAOYSA-N
MW332.15 g/mol
LogP0.51
Rot. Bonds2

About 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone

1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone (PubChem CID 122597510) has the molecular formula C10H13IN4O and a molecular weight of 332.15 g/mol. Its IUPAC name is 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone.

Molecular Properties

Compound Name1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone
PubChem CID122597510
Molecular FormulaC10H13IN4O
Molecular Weight332.15 g/mol
Exact Mass332.01
IUPAC Name1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCN(I)CC1
InChIInChI=1S/C10H13IN4O/c11-15-5-3-14(4-6-15)10(16)7-9-8-12-1-2-13-9/h1-2,8H,3-7H2
InChIKeyDYMMSSHXMASSAM-UHFFFAOYSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone?
The IUPAC name of 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone (CID 122597510) is 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone.
What is the SMILES notation for 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone?
The canonical SMILES for 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone is O=C(Cc1cnccn1)N1CCN(I)CC1.
What is the InChIKey of 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone?
The InChIKey is DYMMSSHXMASSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O/c11-15-5-3-14(4-6-15)10(16)7-9-8-12-1-2-13-9/h1-2,8H,3-7H2.
What are the key properties of 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone?
1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone has a molecular weight of 332.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodopiperazin-1-yl)-2-pyrazin-2-ylethanone is sourced from PubChem (CID 122597510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).