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

C23H27F2N3O4 — CID 42944385

IUPAC2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C23H27F2N3O4/c1-3-31-20-10-5-4-9-19(20)26-21(29)16(2)27-11-13-28(14-12-27)22(30)17-7-6-8-18(15-17)32-23(24)25/h4-10,15-16,23H,3,11-14H2,1-2H3,(H,26,29)
InChIKeyYZMBPGQEIJTZAO-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.47
Rot. Bonds8

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

2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 42944385) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID42944385
Molecular FormulaC23H27F2N3O4
Molecular Weight447.48 g/mol
Exact Mass447.20
IUPAC Name2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C23H27F2N3O4/c1-3-31-20-10-5-4-9-19(20)26-21(29)16(2)27-11-13-28(14-12-27)22(30)17-7-6-8-18(15-17)32-23(24)25/h4-10,15-16,23H,3,11-14H2,1-2H3,(H,26,29)
InChIKeyYZMBPGQEIJTZAO-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-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42888082
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
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
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 42944621
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 60502336
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 106839146
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide (CID 42944385) is 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is YZMBPGQEIJTZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-3-31-20-10-5-4-9-19(20)26-21(29)16(2)27-11-13-28(14-12-27)22(30)17-7-6-8-18(15-17)32-23(24)25/h4-10,15-16,23H,3,11-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
2-[4-[3-(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-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 42944385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).