1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H21F3N2O — CID 102891399

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1NCC2CCCC21)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-4-2-6-19(8-10)13(20)12-11-5-1-3-9(11)7-18-12/h9-12,18H,1-8H2
InChIKeyUHUSDCYYCSAOMG-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.18
Rot. Bonds1

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 102891399) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID102891399
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1NCC2CCCC21)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-4-2-6-19(8-10)13(20)12-11-5-1-3-9(11)7-18-12/h9-12,18H,1-8H2
InChIKeyUHUSDCYYCSAOMG-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 102891399) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1NCC2CCCC21)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UHUSDCYYCSAOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)10-4-2-6-19(8-10)13(20)12-11-5-1-3-9(11)7-18-12/h9-12,18H,1-8H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 102891399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).