tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone

C54H84F3N9O6 — CID 167545472

IUPACtert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone
SMILESCC(C)(C)OC(=O)NC1CNCC12CC2.CN1CC(N)C2(CC2)C1.CN1CC(NC(=O)OC(C)(C)C)C2(CC2)C1.C[C@@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@H](C(=O)CC2CN(C)CC23CC3)O1
InChIInChI=1S/C24H28F3N3O2.C12H22N2O2.C11H20N2O2.C7H14N2/c1-15-11-30(19-6-5-18(24(25,26)27)22-17(19)4-3-9-28-22)13-21(32-15)20(31)10-16-12-29(2)14-23(16)7-8-23;1-11(2,3)16-10(15)13-9-7-14(4)8-12(9)5-6-12;1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11;1-9-4-6(8)7(5-9)2-3-7/h3-6,9,15-16,21H,7-8,10-14H2,1-2H3;9H,5-8H2,1-4H3,(H,13,15);8,12H,4-7H2,1-3H3,(H,13,14);6H,2-5,8H2,1H3/t15-,16?,21-;;;/m1.../s1
InChIKeyBSSWDKOIVAYQJL-OJZJYDQFSA-N
MW1012.32 g/mol
LogP7.06
Rot. Bonds6

About tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone

tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone (PubChem CID 167545472) has the molecular formula C54H84F3N9O6 and a molecular weight of 1012.32 g/mol. Its IUPAC name is tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone.

Molecular Properties

Compound Nametert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone
PubChem CID167545472
Molecular FormulaC54H84F3N9O6
Molecular Weight1012.32 g/mol
Exact Mass1011.65
IUPAC Nametert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone
SMILESCC(C)(C)OC(=O)NC1CNCC12CC2.CN1CC(N)C2(CC2)C1.CN1CC(NC(=O)OC(C)(C)C)C2(CC2)C1.C[C@@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@H](C(=O)CC2CN(C)CC23CC3)O1
InChIInChI=1S/C24H28F3N3O2.C12H22N2O2.C11H20N2O2.C7H14N2/c1-15-11-30(19-6-5-18(24(25,26)27)22-17(19)4-3-9-28-22)13-21(32-15)20(31)10-16-12-29(2)14-23(16)7-8-23;1-11(2,3)16-10(15)13-9-7-14(4)8-12(9)5-6-12;1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11;1-9-4-6(8)7(5-9)2-3-7/h3-6,9,15-16,21H,7-8,10-14H2,1-2H3;9H,5-8H2,1-4H3,(H,13,15);8,12H,4-7H2,1-3H3,(H,13,14);6H,2-5,8H2,1H3/t15-,16?,21-;;;/m1.../s1
InChIKeyBSSWDKOIVAYQJL-OJZJYDQFSA-N
XLogP7.06
TPSA166.86 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.32
LogP ≤ 57.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone with MolForge

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Related Compounds

methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
CID 156648946
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082
2-(1-methylpyrrolidin-3-yl)-N-[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 142520349
tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate
CID 167055427
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961
2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776978
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 129275640
2-(1-aminocyclohexyl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776942
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 145336530
tert-butyl 6-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-5-oxohexanoate
CID 161485665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone?
The IUPAC name of tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone (CID 167545472) is tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone.
What is the SMILES notation for tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone?
The canonical SMILES for tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone is CC(C)(C)OC(=O)NC1CNCC12CC2.CN1CC(N)C2(CC2)C1.CN1CC(NC(=O)OC(C)(C)C)C2(CC2)C1.C[C@@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@H](C(=O)CC2CN(C)CC23CC3)O1.
What is the InChIKey of tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone?
The InChIKey is BSSWDKOIVAYQJL-OJZJYDQFSA-N. The full InChI is InChI=1S/C24H28F3N3O2.C12H22N2O2.C11H20N2O2.C7H14N2/c1-15-11-30(19-6-5-18(24(25,26)27)22-17(19)4-3-9-28-22)13-21(32-15)20(31)10-16-12-29(2)14-23(16)7-8-23;1-11(2,3)16-10(15)13-9-7-14(4)8-12(9)5-6-12;1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11;1-9-4-6(8)7(5-9)2-3-7/h3-6,9,15-16,21H,7-8,10-14H2,1-2H3;9H,5-8H2,1-4H3,(H,13,15);8,12H,4-7H2,1-3H3,(H,13,14);6H,2-5,8H2,1H3/t15-,16?,21-;;;/m1.../s1.
What are the key properties of tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone?
tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone has a molecular weight of 1012.32 g/mol, XLogP of 7.06, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-azaspiro[2.4]heptan-7-yl)carbamate;tert-butyl N-(5-methyl-5-azaspiro[2.4]heptan-7-yl)carbamate;5-methyl-5-azaspiro[2.4]heptan-7-amine;2-(5-methyl-5-azaspiro[2.4]heptan-7-yl)-1-[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]ethanone is sourced from PubChem (CID 167545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).