2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone

C21H25N7O2 — CID 71705465

IUPAC2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
SMILESCn1nnc(-c2ccc(OCC(=O)N3CCN(CCc4ccncc4)CC3)cc2)n1
InChIInChI=1S/C21H25N7O2/c1-26-24-21(23-25-26)18-2-4-19(5-3-18)30-16-20(29)28-14-12-27(13-15-28)11-8-17-6-9-22-10-7-17/h2-7,9-10H,8,11-16H2,1H3
InChIKeyFIOXNIALIWGGTH-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.04
Rot. Bonds7

About 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone

2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone (PubChem CID 71705465) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
PubChem CID71705465
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
SMILESCn1nnc(-c2ccc(OCC(=O)N3CCN(CCc4ccncc4)CC3)cc2)n1
InChIInChI=1S/C21H25N7O2/c1-26-24-21(23-25-26)18-2-4-19(5-3-18)30-16-20(29)28-14-12-27(13-15-28)11-8-17-6-9-22-10-7-17/h2-7,9-10H,8,11-16H2,1H3
InChIKeyFIOXNIALIWGGTH-UHFFFAOYSA-N
XLogP1.04
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984309
2-(4-nitrophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984340
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-(3-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984584
2-(4-tert-butylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 39867855
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
2-(3,4-dimethylphenoxy)-1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110308570
2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone
CID 91838919
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71706470
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 78835314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone (CID 71705465) is 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone is Cn1nnc(-c2ccc(OCC(=O)N3CCN(CCc4ccncc4)CC3)cc2)n1.
What is the InChIKey of 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is FIOXNIALIWGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-26-24-21(23-25-26)18-2-4-19(5-3-18)30-16-20(29)28-14-12-27(13-15-28)11-8-17-6-9-22-10-7-17/h2-7,9-10H,8,11-16H2,1H3.
What are the key properties of 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 407.48 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71705465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).