1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide

C11H19F2N3O3 — CID 103211621

IUPAC1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)CCOCC(F)F)CC1
InChIInChI=1S/C11H19F2N3O3/c12-9(13)7-19-6-3-10(17)16-4-1-8(2-5-16)11(14)15-18/h8-9,18H,1-7H2,(H2,14,15)
InChIKeyRNWGVQRQSQBEQO-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.64
Rot. Bonds6

About 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide

1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 103211621) has the molecular formula C11H19F2N3O3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide
PubChem CID103211621
Molecular FormulaC11H19F2N3O3
Molecular Weight279.29 g/mol
Exact Mass279.14
IUPAC Name1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)CCOCC(F)F)CC1
InChIInChI=1S/C11H19F2N3O3/c12-9(13)7-19-6-3-10(17)16-4-1-8(2-5-16)11(14)15-18/h8-9,18H,1-7H2,(H2,14,15)
InChIKeyRNWGVQRQSQBEQO-UHFFFAOYSA-N
XLogP0.64
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide (CID 103211621) is 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(C(=O)CCOCC(F)F)CC1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is RNWGVQRQSQBEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O3/c12-9(13)7-19-6-3-10(17)16-4-1-8(2-5-16)11(14)15-18/h8-9,18H,1-7H2,(H2,14,15).
What are the key properties of 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide?
1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 279.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)propanoyl]-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 103211621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).