2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide

C11H20F2N4O3 — CID 103211602

IUPAC2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(C(=O)CCOCC(F)F)CC1)=NO
InChIInChI=1S/C11H20F2N4O3/c12-9(13)8-20-6-1-11(18)17-4-2-16(3-5-17)7-10(14)15-19/h9,19H,1-8H2,(H2,14,15)
InChIKeyLPAFTPGXJVKLBJ-UHFFFAOYSA-N
MW294.30 g/mol
LogP-0.45
Rot. Bonds7

About 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 103211602) has the molecular formula C11H20F2N4O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID103211602
Molecular FormulaC11H20F2N4O3
Molecular Weight294.30 g/mol
Exact Mass294.15
IUPAC Name2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(C(=O)CCOCC(F)F)CC1)=NO
InChIInChI=1S/C11H20F2N4O3/c12-9(13)8-20-6-1-11(18)17-4-2-16(3-5-17)7-10(14)15-19/h9,19H,1-8H2,(H2,14,15)
InChIKeyLPAFTPGXJVKLBJ-UHFFFAOYSA-N
XLogP-0.45
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011838
3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 103209063
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
1-[3-(2,2-difluoroethoxy)propanoyl]-4-methylpiperidine-4-carbonitrile
CID 103526870
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
CID 103209701
3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 103209043
3-(2,2-difluoroethoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224846
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77012033
3-(2,2-difluoroethoxy)-1-(3,3-dimethylpiperazin-1-yl)propan-1-one
CID 103206298
3-(2,2-difluoroethoxy)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 103209719
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide (CID 103211602) is 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide is NC(CN1CCN(C(=O)CCOCC(F)F)CC1)=NO.
What is the InChIKey of 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is LPAFTPGXJVKLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N4O3/c12-9(13)8-20-6-1-11(18)17-4-2-16(3-5-17)7-10(14)15-19/h9,19H,1-8H2,(H2,14,15).
What are the key properties of 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 294.30 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103211602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).