N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C20H24FN3O3 — CID 6470432

IUPACN-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H24FN3O3/c1-26-17-7-8-18(19(13-17)27-2)22-20(25)24-11-9-23(10-12-24)14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyYIZVFBKOLOQZOR-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.19
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 6470432) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID6470432
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H24FN3O3/c1-26-17-7-8-18(19(13-17)27-2)22-20(25)24-11-9-23(10-12-24)14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyYIZVFBKOLOQZOR-UHFFFAOYSA-N
XLogP3.19
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 6470432) is N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is YIZVFBKOLOQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-26-17-7-8-18(19(13-17)27-2)22-20(25)24-11-9-23(10-12-24)14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 6470432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).