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

C11H19F3N4O2 — CID 77099612

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide
SMILESNC(CN1CCC(NC(=O)CCC(F)(F)F)CC1)=NO
InChIInChI=1S/C11H19F3N4O2/c12-11(13,14)4-1-10(19)16-8-2-5-18(6-3-8)7-9(15)17-20/h8,20H,1-7H2,(H2,15,17)(H,16,19)
InChIKeySUUBVVKLLNHHQT-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.66
Rot. Bonds5

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

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide (PubChem CID 77099612) has the molecular formula C11H19F3N4O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide
PubChem CID77099612
Molecular FormulaC11H19F3N4O2
Molecular Weight296.29 g/mol
Exact Mass296.15
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide
SMILESNC(CN1CCC(NC(=O)CCC(F)(F)F)CC1)=NO
InChIInChI=1S/C11H19F3N4O2/c12-11(13,14)4-1-10(19)16-8-2-5-18(6-3-8)7-9(15)17-20/h8,20H,1-7H2,(H2,15,17)(H,16,19)
InChIKeySUUBVVKLLNHHQT-UHFFFAOYSA-N
XLogP0.66
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.66
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]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide (CID 77099612) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide is NC(CN1CCC(NC(=O)CCC(F)(F)F)CC1)=NO.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
The InChIKey is SUUBVVKLLNHHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2/c12-11(13,14)4-1-10(19)16-8-2-5-18(6-3-8)7-9(15)17-20/h8,20H,1-7H2,(H2,15,17)(H,16,19).
What are the key properties of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-4,4,4-trifluorobutanamide has a molecular weight of 296.29 g/mol, XLogP of 0.66, 5 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]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 77099612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).