[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone

C22H24FN5O — CID 75372784

IUPAC[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESCc1cccc(C)c1-n1nnnc1CN1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN5O/c1-15-5-3-6-16(2)21(15)28-20(24-25-26-28)14-27-12-4-7-18(13-27)22(29)17-8-10-19(23)11-9-17/h3,5-6,8-11,18H,4,7,12-14H2,1-2H3
InChIKeyOESZQXPNCKFVHG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.51
Rot. Bonds5

About [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone

[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 75372784) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID75372784
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESCc1cccc(C)c1-n1nnnc1CN1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN5O/c1-15-5-3-6-16(2)21(15)28-20(24-25-26-28)14-27-12-4-7-18(13-27)22(29)17-8-10-19(23)11-9-17/h3,5-6,8-11,18H,4,7,12-14H2,1-2H3
InChIKeyOESZQXPNCKFVHG-UHFFFAOYSA-N
XLogP3.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801
(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
CID 97074751
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
CID 45252549
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917289
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93492077

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone (CID 75372784) is [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone is Cc1cccc(C)c1-n1nnnc1CN1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is OESZQXPNCKFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15-5-3-6-16(2)21(15)28-20(24-25-26-28)14-27-12-4-7-18(13-27)22(29)17-8-10-19(23)11-9-17/h3,5-6,8-11,18H,4,7,12-14H2,1-2H3.
What are the key properties of [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 393.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 75372784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).