N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C20H24FN3O3 — CID 3240266

IUPACN-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C20H24FN3O3/c1-26-16-11-15(12-17(13-16)27-2)22-20(25)14-23-7-9-24(10-8-23)19-6-4-3-5-18(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,25)
InChIKeyOENQDWFSCBRDDV-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.60
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 3240266) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID3240266
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C20H24FN3O3/c1-26-16-11-15(12-17(13-16)27-2)22-20(25)14-23-7-9-24(10-8-23)19-6-4-3-5-18(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,25)
InChIKeyOENQDWFSCBRDDV-UHFFFAOYSA-N
XLogP2.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 3240266) is N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is COc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is OENQDWFSCBRDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-26-16-11-15(12-17(13-16)27-2)22-20(25)14-23-7-9-24(10-8-23)19-6-4-3-5-18(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3240266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).