N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide

C21H24F3N3O3 — CID 35159364

IUPACN-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C21H24F3N3O3/c1-29-19-4-2-3-17(13-19)25-20(28)15-27-11-9-26(10-12-27)14-16-5-7-18(8-6-16)30-21(22,23)24/h2-8,13H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyCCBSQUGZSHYENX-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.35
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide

N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 35159364) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID35159364
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC NameN-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C21H24F3N3O3/c1-29-19-4-2-3-17(13-19)25-20(28)15-27-11-9-26(10-12-27)14-16-5-7-18(8-6-16)30-21(22,23)24/h2-8,13H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyCCBSQUGZSHYENX-UHFFFAOYSA-N
XLogP3.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
5-[[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 30872112
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 31129600
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
N-(4-chlorophenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195037
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide (CID 35159364) is N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is CCBSQUGZSHYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-29-19-4-2-3-17(13-19)25-20(28)15-27-11-9-26(10-12-27)14-16-5-7-18(8-6-16)30-21(22,23)24/h2-8,13H,9-12,14-15H2,1H3,(H,25,28).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 35159364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).