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

C17H29N5O2 — CID 131680974

IUPAC[3-(methoxymethyl)-2-propan-2-yl-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(C)C
InChIInChI=1S/C17H29N5O2/c1-13(2)22-11-17(9-14(22)10-24-4)5-7-21(8-6-17)16(23)15-18-12-20(3)19-15/h12-14H,5-11H2,1-4H3
InChIKeyWLMWQZNEVXSXQQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.17
Rot. Bonds4

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

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131680974) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131680974
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name[3-(methoxymethyl)-2-propan-2-yl-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(C)C
InChIInChI=1S/C17H29N5O2/c1-13(2)22-11-17(9-14(22)10-24-4)5-7-21(8-6-17)16(23)15-18-12-20(3)19-15/h12-14H,5-11H2,1-4H3
InChIKeyWLMWQZNEVXSXQQ-UHFFFAOYSA-N
XLogP1.17
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131680974) is [3-(methoxymethyl)-2-propan-2-yl-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-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-propan-2-yl-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(C)C.
What is the InChIKey of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is WLMWQZNEVXSXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(2)22-11-17(9-14(22)10-24-4)5-7-21(8-6-17)16(23)15-18-12-20(3)19-15/h12-14H,5-11H2,1-4H3.
What are the key properties of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131680974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).