oxan-3-yl-(4-phenylpiperazin-1-yl)methanone

C16H22N2O2 — CID 110853203

IUPACoxan-3-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCOC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(14-5-4-12-20-13-14)18-10-8-17(9-11-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyDTOYAPVVGDYDMA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.76
Rot. Bonds2

About oxan-3-yl-(4-phenylpiperazin-1-yl)methanone

oxan-3-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110853203) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is oxan-3-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-3-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID110853203
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameoxan-3-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCOC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(14-5-4-12-20-13-14)18-10-8-17(9-11-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyDTOYAPVVGDYDMA-UHFFFAOYSA-N
XLogP1.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 110856431
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 50985760
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of oxan-3-yl-(4-phenylpiperazin-1-yl)methanone (CID 110853203) is oxan-3-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for oxan-3-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for oxan-3-yl-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCCOC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of oxan-3-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DTOYAPVVGDYDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(14-5-4-12-20-13-14)18-10-8-17(9-11-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of oxan-3-yl-(4-phenylpiperazin-1-yl)methanone?
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110853203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).