N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid

C20H28F3N5O4 — CID 155834624

IUPACN,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(C(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O2.C2HF3O2/c1-14-11-20-15(12-19-14)17(25)23-8-4-5-18(23)6-9-22(10-7-18)13-16(24)21(2)3;3-2(4,5)1(6)7/h11-12H,4-10,13H2,1-3H3;(H,6,7)
InChIKeyNIDOWIKIQDIJKS-UHFFFAOYSA-N
MW459.47 g/mol
LogP1.58
Rot. Bonds3

About N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155834624) has the molecular formula C20H28F3N5O4 and a molecular weight of 459.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155834624
Molecular FormulaC20H28F3N5O4
Molecular Weight459.47 g/mol
Exact Mass459.21
IUPAC NameN,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(C(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O2.C2HF3O2/c1-14-11-20-15(12-19-14)17(25)23-8-4-5-18(23)6-9-22(10-7-18)13-16(24)21(2)3;3-2(4,5)1(6)7/h11-12H,4-10,13H2,1-3H3;(H,6,7)
InChIKeyNIDOWIKIQDIJKS-UHFFFAOYSA-N
XLogP1.58
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 118742689
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155849910
2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide
CID 127272826
(5-methylpyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346703
2-methyl-1-[7-(1,3-thiazol-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 155854026
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
2-[4-(5-aminopyridine-2-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 81311913
[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155831316
(6-methyl-3-pyridinyl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823731
2-[4-[3-(4-chlorophenyl)propyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 167766779

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155834624) is N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid is Cc1cnc(C(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is NIDOWIKIQDIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2.C2HF3O2/c1-14-11-20-15(12-19-14)17(25)23-8-4-5-18(23)6-9-22(10-7-18)13-16(24)21(2)3;3-2(4,5)1(6)7/h11-12H,4-10,13H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 459.47 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).