N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide

C20H23F3N4O2 — CID 171337888

IUPACN-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C20H23F3N4O2/c1-29-17-4-2-3-16(12-17)25-19(28)14-27-9-7-26(8-10-27)13-15-5-6-24-18(11-15)20(21,22)23/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,28)
InChIKeyNRQJSSVQWZLVDZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.87
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide (PubChem CID 171337888) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
PubChem CID171337888
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC NameN-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C20H23F3N4O2/c1-29-17-4-2-3-16(12-17)25-19(28)14-27-9-7-26(8-10-27)13-15-5-6-24-18(11-15)20(21,22)23/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,28)
InChIKeyNRQJSSVQWZLVDZ-UHFFFAOYSA-N
XLogP2.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35159364
2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 166605762
N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171691034
2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide (CID 171337888) is N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is NRQJSSVQWZLVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-29-17-4-2-3-16(12-17)25-19(28)14-27-9-7-26(8-10-27)13-15-5-6-24-18(11-15)20(21,22)23/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,28).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 408.42 g/mol, XLogP of 2.87, 6 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-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 171337888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).