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

C11H19F3N4O3 — CID 103211609

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CN1CCC(NC(=O)COCC(F)(F)F)CC1)=NO
InChIInChI=1S/C11H19F3N4O3/c12-11(13,14)7-21-6-10(19)16-8-1-3-18(4-2-8)5-9(15)17-20/h8,20H,1-7H2,(H2,15,17)(H,16,19)
InChIKeyYNJJUBQOVIONAW-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.11
Rot. Bonds6

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

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211609) has the molecular formula C11H19F3N4O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211609
Molecular FormulaC11H19F3N4O3
Molecular Weight312.29 g/mol
Exact Mass312.14
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CN1CCC(NC(=O)COCC(F)(F)F)CC1)=NO
InChIInChI=1S/C11H19F3N4O3/c12-11(13,14)7-21-6-10(19)16-8-1-3-18(4-2-8)5-9(15)17-20/h8,20H,1-7H2,(H2,15,17)(H,16,19)
InChIKeyYNJJUBQOVIONAW-UHFFFAOYSA-N
XLogP-0.11
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211609) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is NC(CN1CCC(NC(=O)COCC(F)(F)F)CC1)=NO.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YNJJUBQOVIONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O3/c12-11(13,14)7-21-6-10(19)16-8-1-3-18(4-2-8)5-9(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]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 312.29 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).