1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one

C14H22N4O2 — CID 56750732

IUPAC1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
SMILESCCN1CCN(C(=O)CCCc2cn[nH]c2)C(C)C1=O
InChIInChI=1S/C14H22N4O2/c1-3-17-7-8-18(11(2)14(17)20)13(19)6-4-5-12-9-15-16-10-12/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMRFRCCACFSTSJV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.81
Rot. Bonds5

About 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one

1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one (PubChem CID 56750732) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
PubChem CID56750732
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
SMILESCCN1CCN(C(=O)CCCc2cn[nH]c2)C(C)C1=O
InChIInChI=1S/C14H22N4O2/c1-3-17-7-8-18(11(2)14(17)20)13(19)6-4-5-12-9-15-16-10-12/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMRFRCCACFSTSJV-UHFFFAOYSA-N
XLogP0.81
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
The IUPAC name of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one (CID 56750732) is 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
The canonical SMILES for 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one is CCN1CCN(C(=O)CCCc2cn[nH]c2)C(C)C1=O.
What is the InChIKey of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
The InChIKey is MRFRCCACFSTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-17-7-8-18(11(2)14(17)20)13(19)6-4-5-12-9-15-16-10-12/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one is sourced from PubChem (CID 56750732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).