4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C16H23N3O2 — CID 131644985

IUPAC4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)NCC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C16H23N3O2/c1-21-11-14-15(20)18-12-16(14)4-8-19(9-5-16)10-13-2-6-17-7-3-13/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,18,20)
InChIKeyAUJHLTDADBCPMP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.06
Rot. Bonds4

About 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131644985) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131644985
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)NCC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C16H23N3O2/c1-21-11-14-15(20)18-12-16(14)4-8-19(9-5-16)10-13-2-6-17-7-3-13/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,18,20)
InChIKeyAUJHLTDADBCPMP-UHFFFAOYSA-N
XLogP1.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97476427
(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476753
2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131661990
4-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155837349
(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97474206
4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133136840
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476246
(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one
CID 68855653
4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 167777899
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 131644985) is 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is COCC1C(=O)NCC12CCN(Cc1ccncc1)CC2.
What is the InChIKey of 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AUJHLTDADBCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-11-14-15(20)18-12-16(14)4-8-19(9-5-16)10-13-2-6-17-7-3-13/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,18,20).
What are the key properties of 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131644985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).