3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid

C22H36F3N3O4 — CID 155850228

IUPAC3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCC2(CC1)CC(COCC1CC1)N(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H35N3O2.C2HF3O2/c1-21(2)19(24)22-9-7-20(8-10-22)11-18(14-25-13-17-5-6-17)23(15-20)12-16-3-4-16;3-2(4,5)1(6)7/h16-18H,3-15H2,1-2H3;(H,6,7)
InChIKeyZLZBCGXHHGTLHV-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.29
Rot. Bonds6

About 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid

3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850228) has the molecular formula C22H36F3N3O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850228
Molecular FormulaC22H36F3N3O4
Molecular Weight463.54 g/mol
Exact Mass463.27
IUPAC Name3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCC2(CC1)CC(COCC1CC1)N(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H35N3O2.C2HF3O2/c1-21(2)19(24)22-9-7-20(8-10-22)11-18(14-25-13-17-5-6-17)23(15-20)12-16-3-4-16;3-2(4,5)1(6)7/h16-18H,3-15H2,1-2H3;(H,6,7)
InChIKeyZLZBCGXHHGTLHV-UHFFFAOYSA-N
XLogP3.29
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[3-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155855914
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851937
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171692418
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 131652864
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
2-(methoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 133140590
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
(4S,5R)-7-cyclobutyl-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155831538
2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131647203
[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 131679974
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid (CID 155850228) is 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1CCC2(CC1)CC(COCC1CC1)N(CC1CC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZLZBCGXHHGTLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2.C2HF3O2/c1-21(2)19(24)22-9-7-20(8-10-22)11-18(14-25-13-17-5-6-17)23(15-20)12-16-3-4-16;3-2(4,5)1(6)7/h16-18H,3-15H2,1-2H3;(H,6,7).
What are the key properties of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).