N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide

C10H17F3N4O2 — CID 77002416

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide
SMILESNC(CN1CCC(NC(=O)CC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H17F3N4O2/c11-10(12,13)5-9(18)15-7-1-3-17(4-2-7)6-8(14)16-19/h7,19H,1-6H2,(H2,14,16)(H,15,18)
InChIKeyFQBPRSMAWIVJIJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.27
Rot. Bonds4

About N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide (PubChem CID 77002416) has the molecular formula C10H17F3N4O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide
PubChem CID77002416
Molecular FormulaC10H17F3N4O2
Molecular Weight282.27 g/mol
Exact Mass282.13
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide
SMILESNC(CN1CCC(NC(=O)CC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H17F3N4O2/c11-10(12,13)5-9(18)15-7-1-3-17(4-2-7)6-8(14)16-19/h7,19H,1-6H2,(H2,14,16)(H,15,18)
InChIKeyFQBPRSMAWIVJIJ-UHFFFAOYSA-N
XLogP0.27
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide (CID 77002416) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide is NC(CN1CCC(NC(=O)CC(F)(F)F)CC1)=NO.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide?
The InChIKey is FQBPRSMAWIVJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2/c11-10(12,13)5-9(18)15-7-1-3-17(4-2-7)6-8(14)16-19/h7,19H,1-6H2,(H2,14,16)(H,15,18).
What are the key properties of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide has a molecular weight of 282.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 77002416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).