N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide

C18H22F3N3O2 — CID 163537901

IUPACN-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCNC(=O)CN1CCC2(CC1)CC2NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H22F3N3O2/c1-22-15(25)11-24-7-5-17(6-8-24)10-14(17)23-16(26)12-3-2-4-13(9-12)18(19,20)21/h2-4,9,14H,5-8,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyDYOXKFCPPIVGOW-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.04
Rot. Bonds4

About N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide

N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 163537901) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID163537901
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCNC(=O)CN1CCC2(CC1)CC2NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H22F3N3O2/c1-22-15(25)11-24-7-5-17(6-8-24)10-14(17)23-16(26)12-3-2-4-13(9-12)18(19,20)21/h2-4,9,14H,5-8,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyDYOXKFCPPIVGOW-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
CID 129116077
N-[(2R)-6-(2-amino-2-oxoethyl)-6-azaspiro[2.5]octan-2-yl]-3-fluoro-5-(trifluoromethyl)benzamide;2-methylpropane
CID 158391788
N-[(2R)-6-(4-methylpentyl)-6-azaspiro[2.5]octan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 140937031
2-(5-aminotetrazol-1-yl)-N-[6-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 170505721
2-chloro-N-[(2R)-6-(4-methylpentyl)-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide
CID 140937015
N-[6-(2-methylpropyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 129116068
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 69170249
tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
CID 140937019
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 56913982
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide (CID 163537901) is N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide is CNC(=O)CN1CCC2(CC1)CC2NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is DYOXKFCPPIVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-22-15(25)11-24-7-5-17(6-8-24)10-14(17)23-16(26)12-3-2-4-13(9-12)18(19,20)21/h2-4,9,14H,5-8,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 369.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 163537901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).