N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide

C17H28N6O2 — CID 97398482

IUPACN,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C)C(=O)[C@]12CCN(Cc1nccn1C)C2
InChIInChI=1S/C17H28N6O2/c1-19(2)15(24)12-23-10-9-21(4)16(25)17(23)5-7-22(13-17)11-14-18-6-8-20(14)3/h6,8H,5,7,9-13H2,1-4H3/t17-/m1/s1
InChIKeyVRFPJLHUSFDYCD-QGZVFWFLSA-N
MW348.45 g/mol
LogP-0.77
Rot. Bonds4

About N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide

N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide (PubChem CID 97398482) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide
PubChem CID97398482
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C)C(=O)[C@]12CCN(Cc1nccn1C)C2
InChIInChI=1S/C17H28N6O2/c1-19(2)15(24)12-23-10-9-21(4)16(25)17(23)5-7-22(13-17)11-14-18-6-8-20(14)3/h6,8H,5,7,9-13H2,1-4H3/t17-/m1/s1
InChIKeyVRFPJLHUSFDYCD-QGZVFWFLSA-N
XLogP-0.77
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide with MolForge

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984536
2-[2-(dimethylamino)ethyl]-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97362471
N,N-dimethyl-2-[[9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131652566
N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395337
9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131655738
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155565735
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131654285
N-methyl-7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131662354
1-[(3S)-3-(hydroxymethyl)-3-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 125014766
3,3-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 64949409

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide (CID 97398482) is N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide is CN(C)C(=O)CN1CCN(C)C(=O)[C@]12CCN(Cc1nccn1C)C2.
What is the InChIKey of N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide?
The InChIKey is VRFPJLHUSFDYCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-19(2)15(24)12-23-10-9-21(4)16(25)17(23)5-7-22(13-17)11-14-18-6-8-20(14)3/h6,8H,5,7,9-13H2,1-4H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide?
N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of -0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5R)-9-methyl-2-[(1-methylimidazol-2-yl)methyl]-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]acetamide is sourced from PubChem (CID 97398482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).