[2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H22ClN3O2 — CID 7974889

IUPAC[2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H22ClN3O2/c24-19-10-8-18(9-11-19)17-29-21-6-2-1-5-20(21)23(28)27-15-13-26(14-16-27)22-7-3-4-12-25-22/h1-12H,13-17H2
InChIKeyDUMYWEYPQZQRLJ-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.28
Rot. Bonds5

About [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 7974889) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID7974889
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name[2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H22ClN3O2/c24-19-10-8-18(9-11-19)17-29-21-6-2-1-5-20(21)23(28)27-15-13-26(14-16-27)22-7-3-4-12-25-22/h1-12H,13-17H2
InChIKeyDUMYWEYPQZQRLJ-UHFFFAOYSA-N
XLogP4.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-(phenoxymethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470671
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]phenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11271356
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
N-{2-[4-(5-Chloro-pyridin-2-yl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 44369020
3-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 773687
1-{3-[(2,4-Dichlorophenoxy)methyl]benzoyl}-4-(2-pyridinyl)piperazine
CID 1314815
7-(3-(4-(2-Pyridinyl)-1-piperazinyl)propoxy)-4H-1-benzopyran-4-one
CID 147080
2-[3-[3-Chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]propoxy]guanidine
CID 18322175
3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18327916

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 7974889) is [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DUMYWEYPQZQRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-19-10-8-18(9-11-19)17-29-21-6-2-1-5-20(21)23(28)27-15-13-26(14-16-27)22-7-3-4-12-25-22/h1-12H,13-17H2.
What are the key properties of [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 407.90 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 7974889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).