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

C16H22N2O2 — CID 78802039

IUPACoxan-4-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(14-6-12-20-13-7-14)18-10-8-17(9-11-18)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyXXNDHRAWWXZYKY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.76
Rot. Bonds2

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

oxan-4-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 78802039) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is oxan-4-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID78802039
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameoxan-4-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(14-6-12-20-13-7-14)18-10-8-17(9-11-18)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyXXNDHRAWWXZYKY-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

[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462293
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of oxan-4-yl-(4-phenylpiperazin-1-yl)methanone (CID 78802039) is oxan-4-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for oxan-4-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for oxan-4-yl-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCOCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of oxan-4-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XXNDHRAWWXZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(14-6-12-20-13-7-14)18-10-8-17(9-11-18)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of oxan-4-yl-(4-phenylpiperazin-1-yl)methanone?
oxan-4-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-4-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 78802039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).