(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C17H22N2O3 — CID 166264446

IUPAC(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(C/C=C/c2ccccc2)CC1)C1(O)COC1
InChIInChI=1S/C17H22N2O3/c20-16(17(21)13-22-14-17)19-11-9-18(10-12-19)8-4-7-15-5-2-1-3-6-15/h1-7,21H,8-14H2/b7-4+
InChIKeyOPHUTVVLRBGTNV-QPJJXVBHSA-N
MW302.37 g/mol
LogP0.61
Rot. Bonds4

About (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 166264446) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID166264446
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(C/C=C/c2ccccc2)CC1)C1(O)COC1
InChIInChI=1S/C17H22N2O3/c20-16(17(21)13-22-14-17)19-11-9-18(10-12-19)8-4-7-15-5-2-1-3-6-15/h1-7,21H,8-14H2/b7-4+
InChIKeyOPHUTVVLRBGTNV-QPJJXVBHSA-N
XLogP0.61
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 23770821
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
(2-methylpyrrolidin-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 156608349
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 166264446) is (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(N1CCN(C/C=C/c2ccccc2)CC1)C1(O)COC1.
What is the InChIKey of (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is OPHUTVVLRBGTNV-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(17(21)13-22-14-17)19-11-9-18(10-12-19)8-4-7-15-5-2-1-3-6-15/h1-7,21H,8-14H2/b7-4+.
What are the key properties of (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 302.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166264446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).