2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone

C19H32F3N3O — CID 56756729

IUPAC2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone
SMILESCN1CCN(CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2
InChIInChI=1S/C19H32F3N3O/c1-23-12-13-24(9-8-19(20,21)22)15-18(23)6-10-25(11-7-18)17(26)14-16-4-2-3-5-16/h16H,2-15H2,1H3
InChIKeyODWAJPKMYADEDP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.13
Rot. Bonds4

About 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone

2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 56756729) has the molecular formula C19H32F3N3O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID56756729
Molecular FormulaC19H32F3N3O
Molecular Weight375.48 g/mol
Exact Mass375.25
IUPAC Name2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone
SMILESCN1CCN(CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2
InChIInChI=1S/C19H32F3N3O/c1-23-12-13-24(9-8-19(20,21)22)15-18(23)6-10-25(11-7-18)17(26)14-16-4-2-3-5-16/h16H,2-15H2,1H3
InChIKeyODWAJPKMYADEDP-UHFFFAOYSA-N
XLogP3.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone 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 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone (CID 56756729) is 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone is CN1CCN(CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2.
What is the InChIKey of 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is ODWAJPKMYADEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F3N3O/c1-23-12-13-24(9-8-19(20,21)22)15-18(23)6-10-25(11-7-18)17(26)14-16-4-2-3-5-16/h16H,2-15H2,1H3.
What are the key properties of 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone?
2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 375.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 56756729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).