N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide

C13H15F2N3O3 — CID 2987992

IUPACN-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H15F2N3O3/c14-13(15)21-9-3-1-8(2-4-9)18-11(19)7-10-12(20)17-6-5-16-10/h1-4,10,13,16H,5-7H2,(H,17,20)(H,18,19)
InChIKeyAIFVSVPCLDHRHG-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.70
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2987992) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2987992
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H15F2N3O3/c14-13(15)21-9-3-1-8(2-4-9)18-11(19)7-10-12(20)17-6-5-16-10/h1-4,10,13,16H,5-7H2,(H,17,20)(H,18,19)
InChIKeyAIFVSVPCLDHRHG-UHFFFAOYSA-N
XLogP0.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 7273609
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CID 2956537
N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 944506
2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794746
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 54794634
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide (CID 2987992) is N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide is O=C(CC1NCCNC1=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is AIFVSVPCLDHRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c14-13(15)21-9-3-1-8(2-4-9)18-11(19)7-10-12(20)17-6-5-16-10/h1-4,10,13,16H,5-7H2,(H,17,20)(H,18,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 299.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2987992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).