5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one

C15H24N4O3 — CID 91794678

IUPAC5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1CCO
InChIInChI=1S/C15H24N4O3/c1-11(2)9-18-4-5-19(10-12(18)3-6-20)15(22)13-7-17-14(21)8-16-13/h7-8,11-12,20H,3-6,9-10H2,1-2H3,(H,17,21)
InChIKeyFFKRYCDPOUSOCQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.07
Rot. Bonds5

About 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one

5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 91794678) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID91794678
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1CCO
InChIInChI=1S/C15H24N4O3/c1-11(2)9-18-4-5-19(10-12(18)3-6-20)15(22)13-7-17-14(21)8-16-13/h7-8,11-12,20H,3-6,9-10H2,1-2H3,(H,17,21)
InChIKeyFFKRYCDPOUSOCQ-UHFFFAOYSA-N
XLogP-0.07
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one (CID 91794678) is 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one is CC(C)CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1CCO.
What is the InChIKey of 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is FFKRYCDPOUSOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)9-18-4-5-19(10-12(18)3-6-20)15(22)13-7-17-14(21)8-16-13/h7-8,11-12,20H,3-6,9-10H2,1-2H3,(H,17,21).
What are the key properties of 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 308.38 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 91794678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).