[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C25H23ClN6O2 — CID 46439133

IUPAC[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C25H23ClN6O2/c26-20-12-10-19(11-13-20)18-34-23-9-5-4-8-22(23)24(33)30-14-16-31(17-15-30)25-27-28-29-32(25)21-6-2-1-3-7-21/h1-13H,14-18H2
InChIKeyAHGWSSDYHFVKFN-UHFFFAOYSA-N
MW474.95 g/mol
LogP3.86
Rot. Bonds6

About [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 46439133) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID46439133
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C25H23ClN6O2/c26-20-12-10-19(11-13-20)18-34-23-9-5-4-8-22(23)24(33)30-14-16-31(17-15-30)25-27-28-29-32(25)21-6-2-1-3-7-21/h1-13H,14-18H2
InChIKeyAHGWSSDYHFVKFN-UHFFFAOYSA-N
XLogP3.86
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 60550194
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683
[2-[(4-chlorophenyl)methoxy]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112813345
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
(4-bromo-2-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636432
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
(4-bromo-3,5-dimethoxyphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600708
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9226155

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 46439133) is [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is AHGWSSDYHFVKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c26-20-12-10-19(11-13-20)18-34-23-9-5-4-8-22(23)24(33)30-14-16-31(17-15-30)25-27-28-29-32(25)21-6-2-1-3-7-21/h1-13H,14-18H2.
What are the key properties of [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 474.95 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46439133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).