1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H29N3O3 — CID 91922146

IUPAC1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1cccc(OC)n1)CC2
InChIInChI=1S/C19H29N3O3/c1-15(23)22-11-16(13-24-2)19(14-22)7-9-21(10-8-19)12-17-5-4-6-18(20-17)25-3/h4-6,16H,7-14H2,1-3H3
InChIKeyQCWHJGZDODBBBQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.80
Rot. Bonds5

About 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922146) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922146
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1cccc(OC)n1)CC2
InChIInChI=1S/C19H29N3O3/c1-15(23)22-11-16(13-24-2)19(14-22)7-9-21(10-8-19)12-17-5-4-6-18(20-17)25-3/h4-6,16H,7-14H2,1-3H3
InChIKeyQCWHJGZDODBBBQ-UHFFFAOYSA-N
XLogP1.80
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922146) is 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(Cc1cccc(OC)n1)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is QCWHJGZDODBBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(23)22-11-16(13-24-2)19(14-22)7-9-21(10-8-19)12-17-5-4-6-18(20-17)25-3/h4-6,16H,7-14H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-8-[(6-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).