N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide

C13H16F2N3O3+ — CID 7273609

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide
SMILESO=C(C[C@H]1[NH2+]CCNC1=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)/p+1/t10-/m1/s1
InChIKeyAIFVSVPCLDHRHG-SNVBAGLBSA-O
MW300.29 g/mol
LogP-0.32
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide (PubChem CID 7273609) has the molecular formula C13H16F2N3O3+ and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide
PubChem CID7273609
Molecular FormulaC13H16F2N3O3+
Molecular Weight300.29 g/mol
Exact Mass300.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide
SMILESO=C(C[C@H]1[NH2+]CCNC1=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)/p+1/t10-/m1/s1
InChIKeyAIFVSVPCLDHRHG-SNVBAGLBSA-O
XLogP-0.32
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 6956092
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 2987992
dimethyl 5-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 6956121
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26894768
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2677187
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 110703347

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide (CID 7273609) is N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide is O=C(C[C@H]1[NH2+]CCNC1=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide?
The InChIKey is AIFVSVPCLDHRHG-SNVBAGLBSA-O. 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)/p+1/t10-/m1/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide has a molecular weight of 300.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide is sourced from PubChem (CID 7273609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).