[4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C14H21F3N2O2 — CID 114489819

IUPAC[4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-2-5-18-12-9-21-8-11(12)13(20)19-6-3-10(4-7-19)14(15,16)17/h3,11-12,18H,2,4-9H2,1H3
InChIKeyOKGZWUJMYJVSOO-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.72
Rot. Bonds4

About [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489819) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489819
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name[4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-2-5-18-12-9-21-8-11(12)13(20)19-6-3-10(4-7-19)14(15,16)17/h3,11-12,18H,2,4-9H2,1H3
InChIKeyOKGZWUJMYJVSOO-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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 [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489819) is [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is OKGZWUJMYJVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-2-5-18-12-9-21-8-11(12)13(20)19-6-3-10(4-7-19)14(15,16)17/h3,11-12,18H,2,4-9H2,1H3.
What are the key properties of [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 306.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).