1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C19H32N4O2 — CID 91922001

IUPAC1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOCC1CN(C(=O)CCc2c(C)nn(C)c2C)CC12CCNCC2
InChIInChI=1S/C19H32N4O2/c1-14-17(15(2)22(3)21-14)5-6-18(24)23-11-16(12-25-4)19(13-23)7-9-20-10-8-19/h16,20H,5-13H2,1-4H3
InChIKeyWJAZWFYWRCXUHR-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.44
Rot. Bonds5

About 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 91922001) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID91922001
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOCC1CN(C(=O)CCc2c(C)nn(C)c2C)CC12CCNCC2
InChIInChI=1S/C19H32N4O2/c1-14-17(15(2)22(3)21-14)5-6-18(24)23-11-16(12-25-4)19(13-23)7-9-20-10-8-19/h16,20H,5-13H2,1-4H3
InChIKeyWJAZWFYWRCXUHR-UHFFFAOYSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 91922001) is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is COCC1CN(C(=O)CCc2c(C)nn(C)c2C)CC12CCNCC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is WJAZWFYWRCXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-17(15(2)22(3)21-14)5-6-18(24)23-11-16(12-25-4)19(13-23)7-9-20-10-8-19/h16,20H,5-13H2,1-4H3.
What are the key properties of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 348.49 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 91922001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).