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

C21H21ClF3N5O2 — CID 1469656

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C21H21ClF3N5O2/c1-32-19-5-3-14(22)11-17(19)26-20(31)12-29-8-6-15(7-9-29)30-18-4-2-13(21(23,24)25)10-16(18)27-28-30/h2-5,10-11,15H,6-9,12H2,1H3,(H,26,31)
InChIKeyLVUZVNMSYFJPMS-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.39
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 1469656) has the molecular formula C21H21ClF3N5O2 and a molecular weight of 467.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
PubChem CID1469656
Molecular FormulaC21H21ClF3N5O2
Molecular Weight467.88 g/mol
Exact Mass467.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C21H21ClF3N5O2/c1-32-19-5-3-14(22)11-17(19)26-20(31)12-29-8-6-15(7-9-29)30-18-4-2-13(21(23,24)25)10-16(18)27-28-30/h2-5,10-11,15H,6-9,12H2,1H3,(H,26,31)
InChIKeyLVUZVNMSYFJPMS-UHFFFAOYSA-N
XLogP4.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-(5-chloro-2-methoxy-phenyl)-acetamide
CID 650080
4-(5-Methyl-benzotriazol-1-yl)-piperidine-1-carboxylic acid (2-ethoxy-phenyl)-amide
CID 651324
N-(5-Chloro-2-methoxy-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 653943
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2H-benzotriazole-5-carboxamide
CID 9509453
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-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469643
N-(2-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469645
N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469674
N-[(4-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469675
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 1500568

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (CID 1469656) is N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is LVUZVNMSYFJPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N5O2/c1-32-19-5-3-14(22)11-17(19)26-20(31)12-29-8-6-15(7-9-29)30-18-4-2-13(21(23,24)25)10-16(18)27-28-30/h2-5,10-11,15H,6-9,12H2,1H3,(H,26,31).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 467.88 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 1469656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).