1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

C22H25FN6O — CID 134789442

IUPAC1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(-n2nnnc2N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)c1
InChIInChI=1S/C22H25FN6O/c1-3-16-5-4-6-19(13-16)29-22(25-26-27-29)28-11-9-17(10-12-28)21(30)24-18-8-7-15(2)20(23)14-18/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,24,30)
InChIKeyUPOWEZPNMGCTCG-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.53
Rot. Bonds5

About 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 134789442) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID134789442
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(-n2nnnc2N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)c1
InChIInChI=1S/C22H25FN6O/c1-3-16-5-4-6-19(13-16)29-22(25-26-27-29)28-11-9-17(10-12-28)21(30)24-18-8-7-15(2)20(23)14-18/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,24,30)
InChIKeyUPOWEZPNMGCTCG-UHFFFAOYSA-N
XLogP3.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 43815678
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 134788702
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide
CID 134788594
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 46324206
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N-(3-fluoro-4-methylphenyl)-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 50843441

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 134789442) is 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is CCc1cccc(-n2nnnc2N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)c1.
What is the InChIKey of 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is UPOWEZPNMGCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-3-16-5-4-6-19(13-16)29-22(25-26-27-29)28-11-9-17(10-12-28)21(30)24-18-8-7-15(2)20(23)14-18/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,24,30).
What are the key properties of 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 134789442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).