N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

C20H21F2N3O3 — CID 108950547

IUPACN-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccccc1N1CCN(C(=O)CC(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C20H21F2N3O3/c1-28-17-8-3-2-7-16(17)24-9-11-25(12-10-24)19(27)13-18(26)23-20-14(21)5-4-6-15(20)22/h2-8H,9-13H2,1H3,(H,23,26)
InChIKeyCRMZIPHWFGYZKA-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.65
Rot. Bonds5

About N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108950547) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108950547
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccccc1N1CCN(C(=O)CC(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C20H21F2N3O3/c1-28-17-8-3-2-7-16(17)24-9-11-25(12-10-24)19(27)13-18(26)23-20-14(21)5-4-6-15(20)22/h2-8H,9-13H2,1H3,(H,23,26)
InChIKeyCRMZIPHWFGYZKA-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949556
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-3-oxopropanamide
CID 108945020
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 7417593
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391
2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004179
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
N-(2,3-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950685
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (CID 108950547) is N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is COc1ccccc1N1CCN(C(=O)CC(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is CRMZIPHWFGYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-28-17-8-3-2-7-16(17)24-9-11-25(12-10-24)19(27)13-18(26)23-20-14(21)5-4-6-15(20)22/h2-8H,9-13H2,1H3,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2,6-difluorophenyl)-3-[4-(2-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-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108950547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).