2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

C20H22ClN5O2 — CID 650080

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C20H22ClN5O2/c1-28-19-7-6-14(21)12-17(19)22-20(27)13-25-10-8-15(9-11-25)26-18-5-3-2-4-16(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27)
InChIKeyZQHCKPUFNGIYJK-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 650080) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID650080
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C20H22ClN5O2/c1-28-19-7-6-14(21)12-17(19)22-20(27)13-25-10-8-15(9-11-25)26-18-5-3-2-4-16(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27)
InChIKeyZQHCKPUFNGIYJK-UHFFFAOYSA-N
XLogP3.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(Benzotriazol-1-yl)propyl)-1-(2-methoxyphenyl)piperazine
CID 133001
1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10090259
N-(5-Chloro-2-methoxy-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 653943
1-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-benzotriazole
CID 10042704
1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-cyclohexyl}-1H-benzotriazole
CID 10668199
N-(5-Chloro-2-methoxy-phenyl)-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 650938
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652680
N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-methoxyaniline
CID 677594
N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469656
N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469848
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469851
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469852

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 650080) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ZQHCKPUFNGIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-28-19-7-6-14(21)12-17(19)22-20(27)13-25-10-8-15(9-11-25)26-18-5-3-2-4-16(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 650080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).