N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C21H24N6O — CID 43815678

IUPACN-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H24N6O/c1-15-8-9-19(16(2)14-15)22-20(28)17-10-12-26(13-11-17)21-23-24-25-27(21)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3,(H,22,28)
InChIKeyXPZZZFVXPAUZIK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.13
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 43815678) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID43815678
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H24N6O/c1-15-8-9-19(16(2)14-15)22-20(28)17-10-12-26(13-11-17)21-23-24-25-27(21)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3,(H,22,28)
InChIKeyXPZZZFVXPAUZIK-UHFFFAOYSA-N
XLogP3.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
CID 52511709
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2,4-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 20889341
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
N-(2,4-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806541
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 134789442
N-(2,4-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866424
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 43815678) is N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is XPZZZFVXPAUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-8-9-19(16(2)14-15)22-20(28)17-10-12-26(13-11-17)21-23-24-25-27(21)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3,(H,22,28).
What are the key properties of N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).