[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C22H24FN5O — CID 134107288

IUPAC[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCCn1nnc(-c2ccc(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C22H24FN5O/c1-2-28-25-22(24-26-28)19-5-3-16(4-6-19)15-27-13-11-18(12-14-27)21(29)17-7-9-20(23)10-8-17/h3-10,18H,2,11-15H2,1H3
InChIKeyDSTHBYKPTVUOOS-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.59
Rot. Bonds6

About [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 134107288) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID134107288
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCCn1nnc(-c2ccc(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C22H24FN5O/c1-2-28-25-22(24-26-28)19-5-3-16(4-6-19)15-27-13-11-18(12-14-27)21(29)17-7-9-20(23)10-8-17/h3-10,18H,2,11-15H2,1H3
InChIKeyDSTHBYKPTVUOOS-UHFFFAOYSA-N
XLogP3.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)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

1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one
CID 134093211
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 1462964
4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]benzonitrile
CID 7713290
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 3179372
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 134107288) is [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone is CCn1nnc(-c2ccc(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)n1.
What is the InChIKey of [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is DSTHBYKPTVUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-2-28-25-22(24-26-28)19-5-3-16(4-6-19)15-27-13-11-18(12-14-27)21(29)17-7-9-20(23)10-8-17/h3-10,18H,2,11-15H2,1H3.
What are the key properties of [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 393.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 134107288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).