2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C19H20F3N3O — CID 2697464

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H20F3N3O/c20-15-6-7-16(19(22)18(15)21)23-17(26)13-25-10-8-24(9-11-25)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,23,26)
InChIKeyMNLXFABKLMPJLV-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2697464) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2697464
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H20F3N3O/c20-15-6-7-16(19(22)18(15)21)23-17(26)13-25-10-8-24(9-11-25)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,23,26)
InChIKeyMNLXFABKLMPJLV-UHFFFAOYSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258674
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2685860
2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 34932292
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 5215915
4-[2-(benzylamino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide
CID 3800290
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
N-(2,5-dichlorophenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195718
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
CID 16618246

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 2697464) is 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is MNLXFABKLMPJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-15-6-7-16(19(22)18(15)21)23-17(26)13-25-10-8-24(9-11-25)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,23,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 363.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2697464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).