2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone

C17H20N2O3 — CID 167768897

IUPAC2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone
SMILESO=C(C=C1CCC1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C17H20N2O3/c20-15-6-2-5-14(12-15)17(22)19-9-7-18(8-10-19)16(21)11-13-3-1-4-13/h2,5-6,11-12,20H,1,3-4,7-10H2
InChIKeyJYDZIUAPULEWPJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.79
Rot. Bonds2

About 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone

2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 167768897) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone
PubChem CID167768897
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone
SMILESO=C(C=C1CCC1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C17H20N2O3/c20-15-6-2-5-14(12-15)17(22)19-9-7-18(8-10-19)16(21)11-13-3-1-4-13/h2,5-6,11-12,20H,1,3-4,7-10H2
InChIKeyJYDZIUAPULEWPJ-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544821
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 108548020
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone (CID 167768897) is 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone is O=C(C=C1CCC1)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is JYDZIUAPULEWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15-6-2-5-14(12-15)17(22)19-9-7-18(8-10-19)16(21)11-13-3-1-4-13/h2,5-6,11-12,20H,1,3-4,7-10H2.
What are the key properties of 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone?
2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 167768897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).