N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

C21H22F3N5O — CID 1469631

IUPACN-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1
InChIInChI=1S/C21H22F3N5O/c1-14-3-2-4-16(11-14)25-20(30)13-28-9-7-17(8-10-28)29-19-6-5-15(21(22,23)24)12-18(19)26-27-29/h2-6,11-12,17H,7-10,13H2,1H3,(H,25,30)
InChIKeyZLHZFAZCRHIZJF-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.03
Rot. Bonds4

About N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 1469631) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
PubChem CID1469631
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC NameN-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1
InChIInChI=1S/C21H22F3N5O/c1-14-3-2-4-16(11-14)25-20(30)13-28-9-7-17(8-10-28)29-19-6-5-15(21(22,23)24)12-18(19)26-27-29/h2-6,11-12,17H,7-10,13H2,1H3,(H,25,30)
InChIKeyZLHZFAZCRHIZJF-UHFFFAOYSA-N
XLogP4.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 3229037
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 5003797
N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469663
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 645302
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 645287
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 43814474

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (CID 1469631) is N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is ZLHZFAZCRHIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-14-3-2-4-16(11-14)25-20(30)13-28-9-7-17(8-10-28)29-19-6-5-15(21(22,23)24)12-18(19)26-27-29/h2-6,11-12,17H,7-10,13H2,1H3,(H,25,30).
What are the key properties of N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 417.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 1469631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).