3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

C21H22F3N3O3 — CID 37451220

IUPAC3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccccc1F
InChIInChI=1S/C21H22F3N3O3/c22-16-6-2-3-7-17(16)25-19(28)9-10-26-11-13-27(14-12-26)20(29)15-5-1-4-8-18(15)30-21(23)24/h1-8,21H,9-14H2,(H,25,28)
InChIKeyAPEMNFNTPWVZGG-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.21
Rot. Bonds7

About 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 37451220) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID37451220
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC Name3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccccc1F
InChIInChI=1S/C21H22F3N3O3/c22-16-6-2-3-7-17(16)25-19(28)9-10-26-11-13-27(14-12-26)20(29)15-5-1-4-8-18(15)30-21(23)24/h1-8,21H,9-14H2,(H,25,28)
InChIKeyAPEMNFNTPWVZGG-UHFFFAOYSA-N
XLogP3.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19329376
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
N-(2-fluorophenyl)-3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propanamide
CID 56524799
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56521179

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 37451220) is 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is APEMNFNTPWVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c22-16-6-2-3-7-17(16)25-19(28)9-10-26-11-13-27(14-12-26)20(29)15-5-1-4-8-18(15)30-21(23)24/h1-8,21H,9-14H2,(H,25,28).
What are the key properties of 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 421.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 37451220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).