(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C20H21FN6O — CID 30858119

IUPAC(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN6O/c1-15-2-8-18(9-3-15)27-19(22-23-24-27)14-25-10-12-26(13-11-25)20(28)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3
InChIKeyAGKPZQNJRUMNDH-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.07
Rot. Bonds4

About (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30858119) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID30858119
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN6O/c1-15-2-8-18(9-3-15)27-19(22-23-24-27)14-25-10-12-26(13-11-25)20(28)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3
InChIKeyAGKPZQNJRUMNDH-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]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-fluorophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938400
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802
(3,4-dimethylphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937794
N,N-diethyl-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30937292
N,N-diethyl-4-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30937931
ethyl 2-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-oxoacetate
CID 30937013
N-(3,5-dimethylphenyl)-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340315
[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 30938070
1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]but-2-en-1-one
CID 71961406
(2-bromophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937102
(4-bromophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938413
(Z)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]but-2-en-1-one
CID 30858109

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 30858119) is (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is AGKPZQNJRUMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-15-2-8-18(9-3-15)27-19(22-23-24-27)14-25-10-12-26(13-11-25)20(28)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 380.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30858119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).