[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

C23H29N3O3 — CID 157015324

IUPAC[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(C(COc2ccccc2)c2ccccc2)CC1)C1(CO)CNC1
InChIInChI=1S/C23H29N3O3/c27-18-23(16-24-17-23)22(28)26-13-11-25(12-14-26)21(19-7-3-1-4-8-19)15-29-20-9-5-2-6-10-20/h1-10,21,24,27H,11-18H2
InChIKeyXJOFQPZVMXKNNE-UHFFFAOYSA-N
MW395.50 g/mol
LogP1.53
Rot. Bonds7

About [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 157015324) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID157015324
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(C(COc2ccccc2)c2ccccc2)CC1)C1(CO)CNC1
InChIInChI=1S/C23H29N3O3/c27-18-23(16-24-17-23)22(28)26-13-11-25(12-14-26)21(19-7-3-1-4-8-19)15-29-20-9-5-2-6-10-20/h1-10,21,24,27H,11-18H2
InChIKeyXJOFQPZVMXKNNE-UHFFFAOYSA-N
XLogP1.53
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162625391
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 166622197
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (CID 157015324) is [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is O=C(N1CCN(C(COc2ccccc2)c2ccccc2)CC1)C1(CO)CNC1.
What is the InChIKey of [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is XJOFQPZVMXKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-18-23(16-24-17-23)22(28)26-13-11-25(12-14-26)21(19-7-3-1-4-8-19)15-29-20-9-5-2-6-10-20/h1-10,21,24,27H,11-18H2.
What are the key properties of [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157015324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).