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

C23H27F2N3O4 — CID 42888082

IUPAC2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C23H27F2N3O4/c1-3-31-20-11-7-5-9-18(20)26-21(29)16(2)27-12-14-28(15-13-27)22(30)17-8-4-6-10-19(17)32-23(24)25/h4-11,16,23H,3,12-15H2,1-2H3,(H,26,29)
InChIKeyFZVZEXQRZHEAOY-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.47
Rot. Bonds8

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

2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 42888082) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID42888082
Molecular FormulaC23H27F2N3O4
Molecular Weight447.48 g/mol
Exact Mass447.20
IUPAC Name2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C23H27F2N3O4/c1-3-31-20-11-7-5-9-18(20)26-21(29)16(2)27-12-14-28(15-13-27)22(30)17-8-4-6-10-19(17)32-23(24)25/h4-11,16,23H,3,12-15H2,1-2H3,(H,26,29)
InChIKeyFZVZEXQRZHEAOY-UHFFFAOYSA-N
XLogP3.47
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42944385
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide
CID 55543486
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 55548555
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9493947
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide (CID 42888082) is 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is FZVZEXQRZHEAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-3-31-20-11-7-5-9-18(20)26-21(29)16(2)27-12-14-28(15-13-27)22(30)17-8-4-6-10-19(17)32-23(24)25/h4-11,16,23H,3,12-15H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 447.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 42888082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).