[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid

C23H32F3N3O4 — CID 171693943

IUPAC[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)N1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H31N3O2.C2HF3O2/c1-16-4-3-5-19(22-16)20(25)23-12-10-21(11-13-23)9-8-18(15-26-2)24(21)14-17-6-7-17;3-2(4,5)1(6)7/h3-5,17-18H,6-15H2,1-2H3;(H,6,7)
InChIKeySIWKEMUXXZLABT-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.52
Rot. Bonds5

About [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid

[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 171693943) has the molecular formula C23H32F3N3O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
PubChem CID171693943
Molecular FormulaC23H32F3N3O4
Molecular Weight471.52 g/mol
Exact Mass471.23
IUPAC Name[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)N1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H31N3O2.C2HF3O2/c1-16-4-3-5-19(22-16)20(25)23-12-10-21(11-13-23)9-8-18(15-26-2)24(21)14-17-6-7-17;3-2(4,5)1(6)7/h3-5,17-18H,6-15H2,1-2H3;(H,6,7)
InChIKeySIWKEMUXXZLABT-UHFFFAOYSA-N
XLogP3.52
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830102
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171692418
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155834486
1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
CID 97477211
2-methyl-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155836822
[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97474856
2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897031
[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 171694345
[(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97476128
1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 131650501
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(2-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155850977

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid (CID 171693943) is [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid is COCC1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)N1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is SIWKEMUXXZLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.C2HF3O2/c1-16-4-3-5-19(22-16)20(25)23-12-10-21(11-13-23)9-8-18(15-26-2)24(21)14-17-6-7-17;3-2(4,5)1(6)7/h3-5,17-18H,6-15H2,1-2H3;(H,6,7).
What are the key properties of [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 471.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171693943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).