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

C23H28N6O — CID 46951966

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCCC4C)c3)n2)cc1
InChIInChI=1S/C23H28N6O/c1-17-9-11-20(12-10-17)23-25-27-29(26-23)16-22(30)24-21-8-5-7-19(14-21)15-28-13-4-3-6-18(28)2/h5,7-12,14,18H,3-4,6,13,15-16H2,1-2H3,(H,24,30)
InChIKeySFGHVQCZESJDKI-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.66
Rot. Bonds6

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

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 46951966) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID46951966
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCCC4C)c3)n2)cc1
InChIInChI=1S/C23H28N6O/c1-17-9-11-20(12-10-17)23-25-27-29(26-23)16-22(30)24-21-8-5-7-19(14-21)15-28-13-4-3-6-18(28)2/h5,7-12,14,18H,3-4,6,13,15-16H2,1-2H3,(H,24,30)
InChIKeySFGHVQCZESJDKI-UHFFFAOYSA-N
XLogP3.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
CID 7411277
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide
CID 124582290
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 1440253
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
1-(1H-indol-4-ylmethyl)-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125157393

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide (CID 46951966) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCCC4C)c3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is SFGHVQCZESJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-9-11-20(12-10-17)23-25-27-29(26-23)16-22(30)24-21-8-5-7-19(14-21)15-28-13-4-3-6-18(28)2/h5,7-12,14,18H,3-4,6,13,15-16H2,1-2H3,(H,24,30).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 46951966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).