N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide

C21H26N5O2+ — CID 7406517

IUPACN-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C21H25N5O2/c1-15-3-8-20-19(13-15)23-24-26(20)17-9-11-25(12-10-17)14-21(27)22-16-4-6-18(28-2)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,27)/p+1
InChIKeyNKFIOVVBGINZKF-UHFFFAOYSA-O
MW380.47 g/mol
LogP1.61
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide

N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide (PubChem CID 7406517) has the molecular formula C21H26N5O2+ and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
PubChem CID7406517
Molecular FormulaC21H26N5O2+
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC NameN-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C21H25N5O2/c1-15-3-8-20-19(13-15)23-24-26(20)17-9-11-25(12-10-17)14-21(27)22-16-4-6-18(28-2)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,27)/p+1
InChIKeyNKFIOVVBGINZKF-UHFFFAOYSA-O
XLogP1.61
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7436503
4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 7436495
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406583
methyl 3-[[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 7406721
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methylphenyl)acetamide
CID 7406450
N-tert-butyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406728
1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
CID 46296501
N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 7436483
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 7304046

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide (CID 7406517) is N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide is COc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
The InChIKey is NKFIOVVBGINZKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N5O2/c1-15-3-8-20-19(13-15)23-24-26(20)17-9-11-25(12-10-17)14-21(27)22-16-4-6-18(28-2)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,27)/p+1.
What are the key properties of N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7406517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).