8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

C19H27F4N3O5 — CID 155851259

IUPAC8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1COC2(CN(C(=O)C3(F)CCC3)C2)CN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26FN3O3.C2HF3O2/c1-19-14(22)13-8-24-16(9-20(13)7-12-3-4-12)10-21(11-16)15(23)17(18)5-2-6-17;3-2(4,5)1(6)7/h12-13H,2-11H2,1H3,(H,19,22);(H,6,7)
InChIKeyMCCSAVYIYOZYGU-UHFFFAOYSA-N
MW453.43 g/mol
LogP0.95
Rot. Bonds4

About 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155851259) has the molecular formula C19H27F4N3O5 and a molecular weight of 453.43 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155851259
Molecular FormulaC19H27F4N3O5
Molecular Weight453.43 g/mol
Exact Mass453.19
IUPAC Name8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1COC2(CN(C(=O)C3(F)CCC3)C2)CN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26FN3O3.C2HF3O2/c1-19-14(22)13-8-24-16(9-20(13)7-12-3-4-12)10-21(11-16)15(23)17(18)5-2-6-17;3-2(4,5)1(6)7/h12-13H,2-11H2,1H3,(H,19,22);(H,6,7)
InChIKeyMCCSAVYIYOZYGU-UHFFFAOYSA-N
XLogP0.95
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155860669
2-(cyclopentylmethyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677325
2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155825299
2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155861445
2-[(3-chlorophenyl)methyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155833718
(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124805485
2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 133143006
2-(cyclopentene-1-carbonyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131663319
(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124799177
(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124801885
8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661365

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155851259) is 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1COC2(CN(C(=O)C3(F)CCC3)C2)CN1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MCCSAVYIYOZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3.C2HF3O2/c1-19-14(22)13-8-24-16(9-20(13)7-12-3-4-12)10-21(11-16)15(23)17(18)5-2-6-17;3-2(4,5)1(6)7/h12-13H,2-11H2,1H3,(H,19,22);(H,6,7).
What are the key properties of 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 453.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).