N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

C19H22FN3O3 — CID 113114029

IUPACN-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)c(OC)c1
InChIInChI=1S/C19H22FN3O3/c1-25-16-6-7-17(18(13-16)26-2)21-19(24)23-10-8-22(9-11-23)15-5-3-4-14(20)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyORTOCEISGZPKGV-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.20
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113114029) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113114029
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)c(OC)c1
InChIInChI=1S/C19H22FN3O3/c1-25-16-6-7-17(18(13-16)26-2)21-19(24)23-10-8-22(9-11-23)15-5-3-4-14(20)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyORTOCEISGZPKGV-UHFFFAOYSA-N
XLogP3.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113114031
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
N-(2,4-dimethoxyphenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120938
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (CID 113114029) is N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is ORTOCEISGZPKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-25-16-6-7-17(18(13-16)26-2)21-19(24)23-10-8-22(9-11-23)15-5-3-4-14(20)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 3.20, 4 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-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).