2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone

C24H29FN6O — CID 56550613

IUPAC2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H29FN6O/c25-22-11-9-20(10-12-22)19-23(32)30-17-15-29(16-18-30)13-5-2-6-14-31-27-24(26-28-31)21-7-3-1-4-8-21/h1,3-4,7-12H,2,5-6,13-19H2
InChIKeyMDOZUPBJLYTZKB-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.04
Rot. Bonds9

About 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone (PubChem CID 56550613) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone
PubChem CID56550613
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H29FN6O/c25-22-11-9-20(10-12-22)19-23(32)30-17-15-29(16-18-30)13-5-2-6-14-31-27-24(26-28-31)21-7-3-1-4-8-21/h1,3-4,7-12H,2,5-6,13-19H2
InChIKeyMDOZUPBJLYTZKB-UHFFFAOYSA-N
XLogP3.04
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
2-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 37404080
2-(4-fluorophenyl)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30857695
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 86903022
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 43251745
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336589

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone (CID 56550613) is 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone?
The InChIKey is MDOZUPBJLYTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c25-22-11-9-20(10-12-22)19-23(32)30-17-15-29(16-18-30)13-5-2-6-14-31-27-24(26-28-31)21-7-3-1-4-8-21/h1,3-4,7-12H,2,5-6,13-19H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone has a molecular weight of 436.54 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).