N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide

C13H23F3N2O2 — CID 62715976

IUPACN-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCOCCC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-8-20-9-5-12(19)18(10-13(14,15)16)11-3-6-17-7-4-11/h11,17H,2-10H2,1H3
InChIKeyKLCZGRPRPQEUHQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.95
Rot. Bonds7

About N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide

N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62715976) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62715976
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCOCCC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-8-20-9-5-12(19)18(10-13(14,15)16)11-3-6-17-7-4-11/h11,17H,2-10H2,1H3
InChIKeyKLCZGRPRPQEUHQ-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 62715976) is N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide is CCCOCCC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KLCZGRPRPQEUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-8-20-9-5-12(19)18(10-13(14,15)16)11-3-6-17-7-4-11/h11,17H,2-10H2,1H3.
What are the key properties of N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62715976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).