2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide

C13H17F3N4O — CID 175868550

IUPAC2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESNC(=O)C1CCNC2(C1)CC2C(c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)9(11-18-3-4-19-11)8-6-12(8)5-7(10(17)21)1-2-20-12/h3-4,7-9,20H,1-2,5-6H2,(H2,17,21)(H,18,19)
InChIKeyGGMXZDVNOIMILX-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.30
Rot. Bonds3

About 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide

2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175868550) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID175868550
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESNC(=O)C1CCNC2(C1)CC2C(c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)9(11-18-3-4-19-11)8-6-12(8)5-7(10(17)21)1-2-20-12/h3-4,7-9,20H,1-2,5-6H2,(H2,17,21)(H,18,19)
InChIKeyGGMXZDVNOIMILX-UHFFFAOYSA-N
XLogP1.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide with MolForge

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Related Compounds

(2R,3R)-2-cyclopropyl-N-methyl-N-{[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl}piperidine-3-carboxamide
CID 138000209
2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163295689
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78953979
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962401
N-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932674
4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexane-1-carboxamide
CID 81932690
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932873
4,4-difluoro-N-(1H-imidazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 81932891
4,4-difluoro-N-(1H-imidazol-2-yl)cyclohexane-1-carboxamide
CID 81932910
2-[1-[N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methylcarbamimidoyl]piperidin-3-yl]acetamide
CID 109557836
2-[1-[N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethylcarbamimidoyl]piperidin-3-yl]acetamide
CID 109560060
N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112691041

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 175868550) is 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide is NC(=O)C1CCNC2(C1)CC2C(c1ncc[nH]1)C(F)(F)F.
What is the InChIKey of 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is GGMXZDVNOIMILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)9(11-18-3-4-19-11)8-6-12(8)5-7(10(17)21)1-2-20-12/h3-4,7-9,20H,1-2,5-6H2,(H2,17,21)(H,18,19).
What are the key properties of 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide?
2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175868550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).