(4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H22N4O2 — CID 9243420

IUPAC(4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N4O2/c27-21(25-13-15-26(16-14-25)22-23-11-4-12-24-22)19-7-9-20(10-8-19)28-17-18-5-2-1-3-6-18/h1-12H,13-17H2
InChIKeyCIWQTFNQROPJCC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.02
Rot. Bonds5

About (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 9243420) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID9243420
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N4O2/c27-21(25-13-15-26(16-14-25)22-23-11-4-12-24-22)19-7-9-20(10-8-19)28-17-18-5-2-1-3-6-18/h1-12H,13-17H2
InChIKeyCIWQTFNQROPJCC-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 9243420) is (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CIWQTFNQROPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(25-13-15-26(16-14-25)22-23-11-4-12-24-22)19-7-9-20(10-8-19)28-17-18-5-2-1-3-6-18/h1-12H,13-17H2.
What are the key properties of (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9243420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).