2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C24H30N6O — CID 3280448

IUPAC2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccc(CN4CCCCC4)cc3)n2)c(C)c1
InChIInChI=1S/C24H30N6O/c1-17-13-18(2)23(19(3)14-17)25-22(31)16-30-27-24(26-28-30)21-9-7-20(8-10-21)15-29-11-5-4-6-12-29/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3,(H,25,31)
InChIKeyZQUCICRPMBOKRN-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.89
Rot. Bonds6

About 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3280448) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID3280448
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccc(CN4CCCCC4)cc3)n2)c(C)c1
InChIInChI=1S/C24H30N6O/c1-17-13-18(2)23(19(3)14-17)25-22(31)16-30-27-24(26-28-30)21-9-7-20(8-10-21)15-29-11-5-4-6-12-29/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3,(H,25,31)
InChIKeyZQUCICRPMBOKRN-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
N-(2,3-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462998
N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3737072
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 858734
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 1462964
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4774765
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9126664
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 166602045
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 3280448) is 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccc(CN4CCCCC4)cc3)n2)c(C)c1.
What is the InChIKey of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ZQUCICRPMBOKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-13-18(2)23(19(3)14-17)25-22(31)16-30-27-24(26-28-30)21-9-7-20(8-10-21)15-29-11-5-4-6-12-29/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3,(H,25,31).
What are the key properties of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 418.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3280448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).