2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

C15H18F3N3O — CID 56642871

IUPAC2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(CN1CCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)13-6-4-5-12(9-13)10-19-20-14(22)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,20,22)/b19-10+
InChIKeyOUIRHANIUMQRBZ-VXLYETTFSA-N
MW313.32 g/mol
LogP2.64
Rot. Bonds4

About 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 56642871) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID56642871
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(CN1CCCCC1)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)13-6-4-5-12(9-13)10-19-20-14(22)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,20,22)/b19-10+
InChIKeyOUIRHANIUMQRBZ-VXLYETTFSA-N
XLogP2.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 56642871) is 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(CN1CCCCC1)N/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is OUIRHANIUMQRBZ-VXLYETTFSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)13-6-4-5-12(9-13)10-19-20-14(22)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,20,22)/b19-10+.
What are the key properties of 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 313.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 56642871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).