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

C15H25N5O2 — CID 131681968

IUPAC[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1C
InChIInChI=1S/C15H25N5O2/c1-18-10-15(8-12(18)9-22-3)4-6-20(7-5-15)14(21)13-16-11-19(2)17-13/h11-12H,4-10H2,1-3H3
InChIKeyBHOMJLQTWVJJAC-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.39
Rot. Bonds3

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

[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131681968) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131681968
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1C
InChIInChI=1S/C15H25N5O2/c1-18-10-15(8-12(18)9-22-3)4-6-20(7-5-15)14(21)13-16-11-19(2)17-13/h11-12H,4-10H2,1-3H3
InChIKeyBHOMJLQTWVJJAC-UHFFFAOYSA-N
XLogP0.39
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131681968) is [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is COCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1C.
What is the InChIKey of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is BHOMJLQTWVJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-18-10-15(8-12(18)9-22-3)4-6-20(7-5-15)14(21)13-16-11-19(2)17-13/h11-12H,4-10H2,1-3H3.
What are the key properties of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 307.40 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131681968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).