[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone

C17H22N2O4 — CID 36914707

IUPAC[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H22N2O4/c20-15-3-1-13(2-4-15)16(21)18-7-9-19(10-8-18)17(22)14-5-11-23-12-6-14/h1-4,14,20H,5-12H2
InChIKeyRYQPUCXDLXJBIA-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.10
Rot. Bonds2

About [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone

[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 36914707) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID36914707
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H22N2O4/c20-15-3-1-13(2-4-15)16(21)18-7-9-19(10-8-18)17(22)14-5-11-23-12-6-14/h1-4,14,20H,5-12H2
InChIKeyRYQPUCXDLXJBIA-UHFFFAOYSA-N
XLogP1.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812
[4-(4-methoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137338460
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788098
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-hydroxybenzoyl)piperazin-1-yl]methanone
CID 119730632
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone (CID 36914707) is [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone is O=C(c1ccc(O)cc1)N1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is RYQPUCXDLXJBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15-3-1-13(2-4-15)16(21)18-7-9-19(10-8-18)17(22)14-5-11-23-12-6-14/h1-4,14,20H,5-12H2.
What are the key properties of [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone?
[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 318.37 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 36914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).