(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C14H22F3N3O — CID 129269838

IUPAC(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-18-8-11-3-4-12(9-18)20(11)13(21)19-6-5-10(7-19)14(15,16)17/h10-12H,2-9H2,1H3
InChIKeyUAVYHSYVDLQGJR-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.16
Rot. Bonds1

About (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 129269838) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID129269838
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-18-8-11-3-4-12(9-18)20(11)13(21)19-6-5-10(7-19)14(15,16)17/h10-12H,2-9H2,1H3
InChIKeyUAVYHSYVDLQGJR-UHFFFAOYSA-N
XLogP2.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-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 (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 129269838) is (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is CCN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UAVYHSYVDLQGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-2-18-8-11-3-4-12(9-18)20(11)13(21)19-6-5-10(7-19)14(15,16)17/h10-12H,2-9H2,1H3.
What are the key properties of (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 305.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129269838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).