N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide

C18H26F3N3O2 — CID 35160115

IUPACN-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O2/c1-14(2)11-22-17(25)13-24-9-7-23(8-10-24)12-15-3-5-16(6-4-15)26-18(19,20)21/h3-6,14H,7-13H2,1-2H3,(H,22,25)
InChIKeyNHEQUVQSOIRLLL-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.47
Rot. Bonds7

About N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide

N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 35160115) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID35160115
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC NameN-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O2/c1-14(2)11-22-17(25)13-24-9-7-23(8-10-24)12-15-3-5-16(6-4-15)26-18(19,20)21/h3-6,14H,7-13H2,1-2H3,(H,22,25)
InChIKeyNHEQUVQSOIRLLL-UHFFFAOYSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55598461
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 30673207
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35159364
5-[[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 30872112
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55833151
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9300372
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534614

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide (CID 35160115) is N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide is CC(C)CNC(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is NHEQUVQSOIRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-14(2)11-22-17(25)13-24-9-7-23(8-10-24)12-15-3-5-16(6-4-15)26-18(19,20)21/h3-6,14H,7-13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 35160115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).