[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone

C22H20ClN3O2 — CID 90596721

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H20ClN3O2/c23-18-6-4-7-19(16-18)25-11-13-26(14-12-25)22(27)17-5-3-8-20(15-17)28-21-9-1-2-10-24-21/h1-10,15-16H,11-14H2
InChIKeyYHBPMXQOQWNLEM-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.49
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone (PubChem CID 90596721) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
PubChem CID90596721
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccccn2)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H20ClN3O2/c23-18-6-4-7-19(16-18)25-11-13-26(14-12-25)22(27)17-5-3-8-20(15-17)28-21-9-1-2-10-24-21/h1-10,15-16H,11-14H2
InChIKeyYHBPMXQOQWNLEM-UHFFFAOYSA-N
XLogP4.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 121187049
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596810
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39896443
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
(3-chlorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799985

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone (CID 90596721) is [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone is O=C(c1cccc(Oc2ccccn2)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone?
The InChIKey is YHBPMXQOQWNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-18-6-4-7-19(16-18)25-11-13-26(14-12-25)22(27)17-5-3-8-20(15-17)28-21-9-1-2-10-24-21/h1-10,15-16H,11-14H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone has a molecular weight of 393.87 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone is sourced from PubChem (CID 90596721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).