1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C20H23N7O3S — CID 55994239

IUPAC1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(C(=O)Nc3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N7O3S/c1-31(29,30)17-7-5-16(6-8-17)27-19(23-24-25-27)14-26-12-9-15(10-13-26)20(28)22-18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,22,28)
InChIKeyWCWCRTXJBFAPSK-UHFFFAOYSA-N
MW441.52 g/mol
LogP1.31
Rot. Bonds6

About 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55994239) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55994239
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(C(=O)Nc3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N7O3S/c1-31(29,30)17-7-5-16(6-8-17)27-19(23-24-25-27)14-26-12-9-15(10-13-26)20(28)22-18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,22,28)
InChIKeyWCWCRTXJBFAPSK-UHFFFAOYSA-N
XLogP1.31
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]azepane
CID 56800075
2-methyl-1-[4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 55988977
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
2-[1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55988052
1-[(2-methyl-3-nitrophenyl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 47069581
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
(3S,4R)-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761195
1-(5-bromo-2-pyridinyl)-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55988851
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816585
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 55856960
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55994239) is 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide is CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(C(=O)Nc3ccccn3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is WCWCRTXJBFAPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c1-31(29,30)17-7-5-16(6-8-17)27-19(23-24-25-27)14-26-12-9-15(10-13-26)20(28)22-18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,22,28).
What are the key properties of 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55994239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).