(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H20N4O2 — CID 5137959

IUPAC(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H20N4O2/c26-20(24-12-14-25(15-13-24)21-22-10-5-11-23-21)17-6-4-9-19(16-17)27-18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyFOSHTNPRBHIJKN-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.23
Rot. Bonds4

About (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 5137959) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID5137959
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H20N4O2/c26-20(24-12-14-25(15-13-24)21-22-10-5-11-23-21)17-6-4-9-19(16-17)27-18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyFOSHTNPRBHIJKN-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 90596721
(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 146127206
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 113079200
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 26843254
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 108731152

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 5137959) is (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FOSHTNPRBHIJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(24-12-14-25(15-13-24)21-22-10-5-11-23-21)17-6-4-9-19(16-17)27-18-7-2-1-3-8-18/h1-11,16H,12-15H2.
What are the key properties of (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 5137959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).