[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

C19H29F3N2O4 — CID 118742192

IUPAC[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCC2(CCN(CC3CC3)CC2)O1)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N2O2.C2HF3O2/c20-16(19-9-1-2-10-19)15-5-6-17(21-15)7-11-18(12-8-17)13-14-3-4-14;3-2(4,5)1(6)7/h14-15H,1-13H2;(H,6,7)
InChIKeyUEVIDNBCTGMXOX-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.67
Rot. Bonds3

About [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742192) has the molecular formula C19H29F3N2O4 and a molecular weight of 406.45 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118742192
Molecular FormulaC19H29F3N2O4
Molecular Weight406.45 g/mol
Exact Mass406.21
IUPAC Name[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCC2(CCN(CC3CC3)CC2)O1)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N2O2.C2HF3O2/c20-16(19-9-1-2-10-19)15-5-6-17(21-15)7-11-18(12-8-17)13-14-3-4-14;3-2(4,5)1(6)7/h14-15H,1-13H2;(H,6,7)
InChIKeyUEVIDNBCTGMXOX-UHFFFAOYSA-N
XLogP2.67
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383891
[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832672
[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131657477
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
[1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171672497
(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 155871707
[(6R)-5-oxa-2-azaspiro[3.4]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97399286
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
(2R)-N-(cyclopropylmethyl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383839
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 134076509

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 118742192) is [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is O=C(C1CCC2(CCN(CC3CC3)CC2)O1)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is UEVIDNBCTGMXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2HF3O2/c20-16(19-9-1-2-10-19)15-5-6-17(21-15)7-11-18(12-8-17)13-14-3-4-14;3-2(4,5)1(6)7/h14-15H,1-13H2;(H,6,7).
What are the key properties of [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 406.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).