3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione

C16H15NO3 — CID 11832441

IUPAC3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
SMILESO=C(c1ccccc1)c1c(N2CCCCC2)c(=O)c1=O
InChIInChI=1S/C16H15NO3/c18-14(11-7-3-1-4-8-11)12-13(16(20)15(12)19)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyHHZQKBNMMWFFBP-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.50
Rot. Bonds3

About 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione

3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione (PubChem CID 11832441) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
PubChem CID11832441
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
SMILESO=C(c1ccccc1)c1c(N2CCCCC2)c(=O)c1=O
InChIInChI=1S/C16H15NO3/c18-14(11-7-3-1-4-8-11)12-13(16(20)15(12)19)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyHHZQKBNMMWFFBP-UHFFFAOYSA-N
XLogP1.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone
CID 43833545
3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone
CID 86034172
(6-benzoyl-7-hydroxy-5-piperidin-1-yl-1-benzofuran-4-yl) acetate
CID 10595874
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
CID 173035941
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030
diphenylmethanone
CID 3102
carbamic acid;1-phenylpiperidine
CID 161473217
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 102304812

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione (CID 11832441) is 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione is O=C(c1ccccc1)c1c(N2CCCCC2)c(=O)c1=O.
What is the InChIKey of 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione?
The InChIKey is HHZQKBNMMWFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-14(11-7-3-1-4-8-11)12-13(16(20)15(12)19)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione?
3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione has a molecular weight of 269.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 11832441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).