N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C13H22F3N3O2 — CID 147272380

IUPACN-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCN1CC2CCC(C1)N2C(=O)N(CCO)CCC(F)(F)F
InChIInChI=1S/C13H22F3N3O2/c1-17-8-10-2-3-11(9-17)19(10)12(21)18(6-7-20)5-4-13(14,15)16/h10-11,20H,2-9H2,1H3
InChIKeyCQRKRCUSFYVKAO-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.13
Rot. Bonds4

About N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 147272380) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID147272380
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCN1CC2CCC(C1)N2C(=O)N(CCO)CCC(F)(F)F
InChIInChI=1S/C13H22F3N3O2/c1-17-8-10-2-3-11(9-17)19(10)12(21)18(6-7-20)5-4-13(14,15)16/h10-11,20H,2-9H2,1H3
InChIKeyCQRKRCUSFYVKAO-UHFFFAOYSA-N
XLogP1.13
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

[3-Hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269511
[3-Hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444448
[3-(Difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 170055226
1-Ethyl-3-[1-(4,4,4-trifluoro-2-hydroxybutyl)piperidin-4-yl]imidazolidin-2-one;hydroiodide
CID 137849249
1-Ethyl-3-[1-(4,4,4-trifluoro-2-hydroxybutyl)piperidin-4-yl]imidazolidin-2-one
CID 137849250
1-Methyl-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]imidazolidin-2-one
CID 137947131

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 147272380) is N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is CN1CC2CCC(C1)N2C(=O)N(CCO)CCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is CQRKRCUSFYVKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-17-8-10-2-3-11(9-17)19(10)12(21)18(6-7-20)5-4-13(14,15)16/h10-11,20H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 147272380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).