1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione

C14H17ClN4O2 — CID 166103271

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1cnc(Cl)cn1
InChIInChI=1S/C14H17ClN4O2/c15-12-8-16-10(7-17-12)9-18-5-6-19(14(21)13(18)20)11-3-1-2-4-11/h7-8,11H,1-6,9H2
InChIKeyRFYBABMTMARWTB-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.24
Rot. Bonds3

About 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione

1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione (PubChem CID 166103271) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
PubChem CID166103271
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1cnc(Cl)cn1
InChIInChI=1S/C14H17ClN4O2/c15-12-8-16-10(7-17-12)9-18-5-6-19(14(21)13(18)20)11-3-1-2-4-11/h7-8,11H,1-6,9H2
InChIKeyRFYBABMTMARWTB-UHFFFAOYSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione (CID 166103271) is 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1cnc(Cl)cn1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione?
The InChIKey is RFYBABMTMARWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-12-8-16-10(7-17-12)9-18-5-6-19(14(21)13(18)20)11-3-1-2-4-11/h7-8,11H,1-6,9H2.
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione?
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione has a molecular weight of 308.77 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione is sourced from PubChem (CID 166103271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).