N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide

C9H13F3N2O — CID 165439453

IUPACN-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CNCCC1C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-8(15)14-7-5-13-4-3-6(7)9(10,11)12/h2,6-7,13H,1,3-5H2,(H,14,15)
InChIKeyDYNXEWXFFQNXCM-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.83
Rot. Bonds2

About N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide

N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide (PubChem CID 165439453) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide
PubChem CID165439453
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CNCCC1C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-8(15)14-7-5-13-4-3-6(7)9(10,11)12/h2,6-7,13H,1,3-5H2,(H,14,15)
InChIKeyDYNXEWXFFQNXCM-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide (CID 165439453) is N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide is C=CC(=O)NC1CNCCC1C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide?
The InChIKey is DYNXEWXFFQNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-8(15)14-7-5-13-4-3-6(7)9(10,11)12/h2,6-7,13H,1,3-5H2,(H,14,15).
What are the key properties of N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide?
N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide has a molecular weight of 222.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 165439453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).