[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

C22H24N2O3 — CID 86275339

IUPAC[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1
InChIInChI=1S/C22H24N2O3/c25-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)23-13-15-24(16-14-23)21(26)22(27)11-4-12-22/h1-3,5-10,27H,4,11-16H2
InChIKeyVQNLEJUAAGSHBQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.55
Rot. Bonds3

About [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 86275339) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID86275339
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1
InChIInChI=1S/C22H24N2O3/c25-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)23-13-15-24(16-14-23)21(26)22(27)11-4-12-22/h1-3,5-10,27H,4,11-16H2
InChIKeyVQNLEJUAAGSHBQ-UHFFFAOYSA-N
XLogP2.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 86275339) is [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is VQNLEJUAAGSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)23-13-15-24(16-14-23)21(26)22(27)11-4-12-22/h1-3,5-10,27H,4,11-16H2.
What are the key properties of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 364.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 86275339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).