4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C17H29N5O2 — CID 97412721

IUPAC4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOCCN1CCN(C)C2(CCN(Cc3nccn3C)CC2)C1=O
InChIInChI=1S/C17H29N5O2/c1-19-9-6-18-15(19)14-21-7-4-17(5-8-21)16(23)22(12-13-24-3)11-10-20(17)2/h6,9H,4-5,7-8,10-14H2,1-3H3
InChIKeyNFOIUMQGJPXRFN-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.18
Rot. Bonds5

About 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97412721) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97412721
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOCCN1CCN(C)C2(CCN(Cc3nccn3C)CC2)C1=O
InChIInChI=1S/C17H29N5O2/c1-19-9-6-18-15(19)14-21-7-4-17(5-8-21)16(23)22(12-13-24-3)11-10-20(17)2/h6,9H,4-5,7-8,10-14H2,1-3H3
InChIKeyNFOIUMQGJPXRFN-UHFFFAOYSA-N
XLogP0.18
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
{1-[(1-isopropyl-4-piperidinyl)carbonyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72881062
2-[3-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
1-(cyclopropylcarbonyl)-N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinecarboxamide
CID 72926706
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 75369808
4-(Cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471417
[2-Methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740290

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97412721) is 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is COCCN1CCN(C)C2(CCN(Cc3nccn3C)CC2)C1=O.
What is the InChIKey of 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is NFOIUMQGJPXRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-19-9-6-18-15(19)14-21-7-4-17(5-8-21)16(23)22(12-13-24-3)11-10-20(17)2/h6,9H,4-5,7-8,10-14H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 335.45 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97412721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).