1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one

C18H24N4O2 — CID 70707835

IUPAC1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3nccn3C(C)C)CC2=O)c1
InChIInChI=1S/C18H24N4O2/c1-14(2)21-8-7-19-17(21)12-20-9-10-22(18(23)13-20)15-5-4-6-16(11-15)24-3/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyCSOGGKLQSKMMPD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one

1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one (PubChem CID 70707835) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one
PubChem CID70707835
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3nccn3C(C)C)CC2=O)c1
InChIInChI=1S/C18H24N4O2/c1-14(2)21-8-7-19-17(21)12-20-9-10-22(18(23)13-20)15-5-4-6-16(11-15)24-3/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyCSOGGKLQSKMMPD-UHFFFAOYSA-N
XLogP2.32
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one (CID 70707835) is 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one is COc1cccc(N2CCN(Cc3nccn3C(C)C)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one?
The InChIKey is CSOGGKLQSKMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(2)21-8-7-19-17(21)12-20-9-10-22(18(23)13-20)15-5-4-6-16(11-15)24-3/h4-8,11,14H,9-10,12-13H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 70707835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).