2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C21H24N6O2 — CID 46979424

IUPAC2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1OC1CCN(CC(=O)Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C21H24N6O2/c1-16-4-2-3-5-20(16)29-19-10-12-26(13-11-19)14-21(28)23-17-6-8-18(9-7-17)27-15-22-24-25-27/h2-9,15,19H,10-14H2,1H3,(H,23,28)
InChIKeyCYOZREWEGNCXJO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.45
Rot. Bonds6

About 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 46979424) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID46979424
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1OC1CCN(CC(=O)Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C21H24N6O2/c1-16-4-2-3-5-20(16)29-19-10-12-26(13-11-19)14-21(28)23-17-6-8-18(9-7-17)27-15-22-24-25-27/h2-9,15,19H,10-14H2,1H3,(H,23,28)
InChIKeyCYOZREWEGNCXJO-UHFFFAOYSA-N
XLogP2.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 46968830
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177
2-(4-cyclohexylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1439489
N-(2-imidazol-1-ylphenyl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46979416
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697419
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55838917
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 17011478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 46979424) is 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1ccccc1OC1CCN(CC(=O)Nc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is CYOZREWEGNCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-16-4-2-3-5-20(16)29-19-10-12-26(13-11-19)14-21(28)23-17-6-8-18(9-7-17)27-15-22-24-25-27/h2-9,15,19H,10-14H2,1H3,(H,23,28).
What are the key properties of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 46979424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).