3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C24H26N4O2 — CID 45233685

IUPAC3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCN(c3cnccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-21-9-7-20(8-10-21)22(19-5-3-2-4-6-19)17-24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-12,18,22H,13-17H2,1H3
InChIKeyRXJGFEGGNUTCAS-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.36
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 45233685) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID45233685
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCN(c3cnccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-21-9-7-20(8-10-21)22(19-5-3-2-4-6-19)17-24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-12,18,22H,13-17H2,1H3
InChIKeyRXJGFEGGNUTCAS-UHFFFAOYSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 45233685) is 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is COc1ccc(C(CC(=O)N2CCN(c3cnccn3)CC2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is RXJGFEGGNUTCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-21-9-7-20(8-10-21)22(19-5-3-2-4-6-19)17-24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-12,18,22H,13-17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 402.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 45233685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).