N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

C24H30N6O — CID 1462999

IUPACN-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1
InChIInChI=1S/C24H30N6O/c1-17-11-13-29(14-12-17)15-20-7-9-21(10-8-20)24-26-28-30(27-24)16-22(31)25-23-18(2)5-4-6-19(23)3/h4-10,17H,11-16H2,1-3H3,(H,25,31)
InChIKeyMGISBXPQNHUHKX-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.83
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (PubChem CID 1462999) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
PubChem CID1462999
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1
InChIInChI=1S/C24H30N6O/c1-17-11-13-29(14-12-17)15-20-7-9-21(10-8-20)24-26-28-30(27-24)16-22(31)25-23-18(2)5-4-6-19(23)3/h4-10,17H,11-16H2,1-3H3,(H,25,31)
InChIKeyMGISBXPQNHUHKX-UHFFFAOYSA-N
XLogP3.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-tetrazol-2-yl)-2-phenyl-acetamide
CID 9984522
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-tetrazol-2-yl)-acetamide
CID 10599875
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
N-(2,6-Dimethyl-phenyl)-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetamide
CID 645326
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 1175395
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (CID 1462999) is N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(CN3CCC(C)CC3)cc2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is MGISBXPQNHUHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-11-13-29(14-12-17)15-20-7-9-21(10-8-20)24-26-28-30(27-24)16-22(31)25-23-18(2)5-4-6-19(23)3/h4-10,17H,11-16H2,1-3H3,(H,25,31).
What are the key properties of N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 418.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1462999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).