[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid

C20H30F3N5O4 — CID 155865899

IUPAC[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5O2.C2HF3O2/c1-21-13-19-16(20-21)17(24)22-7-5-18(6-8-22)9-15(11-25-2)23(12-18)10-14-3-4-14;3-2(4,5)1(6)7/h13-15H,3-12H2,1-2H3;(H,6,7)
InChIKeyCUUUGEBFTJWLPM-UHFFFAOYSA-N
MW461.49 g/mol
LogP1.80
Rot. Bonds5

About [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid

[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155865899) has the molecular formula C20H30F3N5O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155865899
Molecular FormulaC20H30F3N5O4
Molecular Weight461.49 g/mol
Exact Mass461.22
IUPAC Name[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5O2.C2HF3O2/c1-21-13-19-16(20-21)17(24)22-7-5-18(6-8-22)9-15(11-25-2)23(12-18)10-14-3-4-14;3-2(4,5)1(6)7/h13-15H,3-12H2,1-2H3;(H,6,7)
InChIKeyCUUUGEBFTJWLPM-UHFFFAOYSA-N
XLogP1.80
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-Methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155865122
[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155866129
[3-[(3-Methylpiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155867697
[1-(2-Methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869431
[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 129548791
[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 129548798
[2-(2-Methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131680310
[2-(Cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131680363
[3-(Methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131680974
[3-(Methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131681968

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155865899) is [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid is COCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is CUUUGEBFTJWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.C2HF3O2/c1-21-13-19-16(20-21)17(24)22-7-5-18(6-8-22)9-15(11-25-2)23(12-18)10-14-3-4-14;3-2(4,5)1(6)7/h13-15H,3-12H2,1-2H3;(H,6,7).
What are the key properties of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 461.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).