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

C22H24F3N5O2 — CID 1469674

IUPACN-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C22H24F3N5O2/c1-32-20-5-3-2-4-15(20)13-26-21(31)14-29-10-8-17(9-11-29)30-19-7-6-16(22(23,24)25)12-18(19)27-28-30/h2-7,12,17H,8-11,13-14H2,1H3,(H,26,31)
InChIKeyBHGMFTLGUGYZHJ-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.41
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 1469674) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
PubChem CID1469674
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C22H24F3N5O2/c1-32-20-5-3-2-4-15(20)13-26-21(31)14-29-10-8-17(9-11-29)30-19-7-6-16(22(23,24)25)12-18(19)27-28-30/h2-7,12,17H,8-11,13-14H2,1H3,(H,26,31)
InChIKeyBHGMFTLGUGYZHJ-UHFFFAOYSA-N
XLogP3.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (CID 1469674) is N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is COc1ccccc1CNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is BHGMFTLGUGYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-32-20-5-3-2-4-15(20)13-26-21(31)14-29-10-8-17(9-11-29)30-19-7-6-16(22(23,24)25)12-18(19)27-28-30/h2-7,12,17H,8-11,13-14H2,1H3,(H,26,31).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 447.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 1469674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).