N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

C20H21F2N3O3 — CID 108952804

IUPACN-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C20H21F2N3O3/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)20(27)13-19(26)23-18-7-2-14(21)12-17(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyRLJBVXNLQHMPBD-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.65
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108952804) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108952804
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C20H21F2N3O3/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)20(27)13-19(26)23-18-7-2-14(21)12-17(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyRLJBVXNLQHMPBD-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 42768647
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727
N-(3,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952778
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949502
2-(2-fluoro-4-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 37479293
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium
CID 8593616
N-(4-bromo-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3287223
N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
CID 4026039
N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 66546864
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (CID 108952804) is N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is COc1ccc(N2CCN(C(=O)CC(=O)Nc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is RLJBVXNLQHMPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)20(27)13-19(26)23-18-7-2-14(21)12-17(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 389.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108952804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).