[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

C17H29N5O3 — CID 131680310

IUPAC[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOCCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CC1COC
InChIInChI=1S/C17H29N5O3/c1-20-13-18-15(19-20)16(23)21-6-4-17(5-7-21)10-14(11-25-3)22(12-17)8-9-24-2/h13-14H,4-12H2,1-3H3
InChIKeyZHPRJHFAQCURLW-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.40
Rot. Bonds6

About [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131680310) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131680310
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOCCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CC1COC
InChIInChI=1S/C17H29N5O3/c1-20-13-18-15(19-20)16(23)21-6-4-17(5-7-21)10-14(11-25-3)22(12-17)8-9-24-2/h13-14H,4-12H2,1-3H3
InChIKeyZHPRJHFAQCURLW-UHFFFAOYSA-N
XLogP0.40
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131680310) is [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is COCCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CC1COC.
What is the InChIKey of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is ZHPRJHFAQCURLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-20-13-18-15(19-20)16(23)21-6-4-17(5-7-21)10-14(11-25-3)22(12-17)8-9-24-2/h13-14H,4-12H2,1-3H3.
What are the key properties of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131680310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).