1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C23H30N2O2 — CID 124802038

IUPAC1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOC[C@@H]1CN(C(C)=O)CC12CCN(Cc1cccc3ccccc13)CC2
InChIInChI=1S/C23H30N2O2/c1-18(26)25-15-21(16-27-2)23(17-25)10-12-24(13-11-23)14-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,21H,10-17H2,1-2H3/t21-/m0/s1
InChIKeySAHMOHGPUZLZFD-NRFANRHFSA-N
MW366.50 g/mol
LogP3.55
Rot. Bonds4

About 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 124802038) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID124802038
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOC[C@@H]1CN(C(C)=O)CC12CCN(Cc1cccc3ccccc13)CC2
InChIInChI=1S/C23H30N2O2/c1-18(26)25-15-21(16-27-2)23(17-25)10-12-24(13-11-23)14-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,21H,10-17H2,1-2H3/t21-/m0/s1
InChIKeySAHMOHGPUZLZFD-NRFANRHFSA-N
XLogP3.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922144
1-[4-(methoxymethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922136
1-[(4S)-4-(cyclopropylmethoxymethyl)-8-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124800995
1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 131638591
1-[8-(furan-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922112
1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922119
1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124800786
3-[[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 91925038
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124822149
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
1-[4-(hydroxymethyl)-8-(1H-pyrrol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922229

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 124802038) is 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COC[C@@H]1CN(C(C)=O)CC12CCN(Cc1cccc3ccccc13)CC2.
What is the InChIKey of 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is SAHMOHGPUZLZFD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(26)25-15-21(16-27-2)23(17-25)10-12-24(13-11-23)14-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,21H,10-17H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 366.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 124802038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).