[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone

C21H22N2O4 — CID 86275091

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C21H22N2O4/c24-19(22-12-14-23(15-13-22)20(25)21(26)10-11-21)16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-9,26H,10-15H2
InChIKeyAPTULPBBBNFPMD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.29
Rot. Bonds4

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 86275091) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID86275091
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C21H22N2O4/c24-19(22-12-14-23(15-13-22)20(25)21(26)10-11-21)16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-9,26H,10-15H2
InChIKeyAPTULPBBBNFPMD-UHFFFAOYSA-N
XLogP2.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone (CID 86275091) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is APTULPBBBNFPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(22-12-14-23(15-13-22)20(25)21(26)10-11-21)16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-9,26H,10-15H2.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 366.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 86275091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).