N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

C24H30N6O — CID 3737072

IUPACN-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCCC(C)C4)cc3)n2)c1C
InChIInChI=1S/C24H30N6O/c1-17-6-5-13-29(14-17)15-20-9-11-21(12-10-20)24-26-28-30(27-24)16-23(31)25-22-8-4-7-18(2)19(22)3/h4,7-12,17H,5-6,13-16H2,1-3H3,(H,25,31)
InChIKeyWTFSPRBDJNMSPL-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.83
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide

N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (PubChem CID 3737072) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
PubChem CID3737072
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCCC(C)C4)cc3)n2)c1C
InChIInChI=1S/C24H30N6O/c1-17-6-5-13-29(14-17)15-20-9-11-21(12-10-20)24-26-28-30(27-24)16-23(31)25-22-8-4-7-18(2)19(22)3/h4,7-12,17H,5-6,13-16H2,1-3H3,(H,25,31)
InChIKeyWTFSPRBDJNMSPL-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-(2,3-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462998
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 1129858
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 861115
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 26295234
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 1462964
N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51887306
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
CID 172904902

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide (CID 3737072) is N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is Cc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCCC(C)C4)cc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is WTFSPRBDJNMSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-6-5-13-29(14-17)15-20-9-11-21(12-10-20)24-26-28-30(27-24)16-23(31)25-22-8-4-7-18(2)19(22)3/h4,7-12,17H,5-6,13-16H2,1-3H3,(H,25,31).
What are the key properties of N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[5-[4-[(3-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-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3737072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).