(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C25H26N4O2 — CID 90146309

IUPAC(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C25H26N4O2/c30-25(20-9-11-23(12-10-20)31-22-6-2-1-3-7-22)29-18-21(19-29)27-14-16-28(17-15-27)24-8-4-5-13-26-24/h1-13,21H,14-19H2
InChIKeyWFMQOYOJXUAYQO-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.52
Rot. Bonds5

About (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 90146309) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID90146309
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C25H26N4O2/c30-25(20-9-11-23(12-10-20)31-22-6-2-1-3-7-22)29-18-21(19-29)27-14-16-28(17-15-27)24-8-4-5-13-26-24/h1-13,21H,14-19H2
InChIKeyWFMQOYOJXUAYQO-UHFFFAOYSA-N
XLogP3.52
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
CID 126893294
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893349
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893285
cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 42194632
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 68777898
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 90146309) is (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is WFMQOYOJXUAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-25(20-9-11-23(12-10-20)31-22-6-2-1-3-7-22)29-18-21(19-29)27-14-16-28(17-15-27)24-8-4-5-13-26-24/h1-13,21H,14-19H2.
What are the key properties of (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 90146309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).