N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H19F3N2O3 — CID 110666960

IUPACN-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NOC1CCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-7-5-9(6-8-18)11(19)17-21-10-3-1-2-4-10/h9-10H,1-8H2,(H,17,19)
InChIKeyOGNNLJCXTUTJIZ-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.78
Rot. Bonds3

About N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110666960) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110666960
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC NameN-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NOC1CCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-7-5-9(6-8-18)11(19)17-21-10-3-1-2-4-10/h9-10H,1-8H2,(H,17,19)
InChIKeyOGNNLJCXTUTJIZ-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110666960) is N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NOC1CCCC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is OGNNLJCXTUTJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)18-7-5-9(6-8-18)11(19)17-21-10-3-1-2-4-10/h9-10H,1-8H2,(H,17,19).
What are the key properties of N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110666960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).