N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide

C18H19F2N3O2 — CID 3258791

IUPACN-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C18H19F2N3O2/c1-25-15-5-3-14(4-6-15)22-8-10-23(11-9-22)18(24)21-17-12-13(19)2-7-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyZKJNFMKSBGTELM-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.33
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 3258791) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID3258791
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C18H19F2N3O2/c1-25-15-5-3-14(4-6-15)22-8-10-23(11-9-22)18(24)21-17-12-13(19)2-7-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyZKJNFMKSBGTELM-UHFFFAOYSA-N
XLogP3.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium
CID 8593616

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 3258791) is N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZKJNFMKSBGTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-25-15-5-3-14(4-6-15)22-8-10-23(11-9-22)18(24)21-17-12-13(19)2-7-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).