(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

C19H28N2O2 — CID 97476753

IUPAC(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@@H]1C(=O)NCC12CCN(Cc1cc(C)ccc1C)CC2
InChIInChI=1S/C19H28N2O2/c1-14-4-5-15(2)16(10-14)11-21-8-6-19(7-9-21)13-20-18(22)17(19)12-23-3/h4-5,10,17H,6-9,11-13H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyMNMWOCCKEQXMIO-QGZVFWFLSA-N
MW316.44 g/mol
LogP2.28
Rot. Bonds4

About (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97476753) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97476753
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@@H]1C(=O)NCC12CCN(Cc1cc(C)ccc1C)CC2
InChIInChI=1S/C19H28N2O2/c1-14-4-5-15(2)16(10-14)11-21-8-6-19(7-9-21)13-20-18(22)17(19)12-23-3/h4-5,10,17H,6-9,11-13H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyMNMWOCCKEQXMIO-QGZVFWFLSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
4-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155837349
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133136840
8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155828711
(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476246
1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-5-one
CID 42275697
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884536
1-[(2,5-dimethylphenyl)methyl]piperazine-2,6-dione
CID 66062258
1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
CID 63863135
1-[(2,5-dimethylphenyl)methyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55165586
(3,5-dimethoxyphenyl)-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 110399171

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97476753) is (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is COC[C@@H]1C(=O)NCC12CCN(Cc1cc(C)ccc1C)CC2.
What is the InChIKey of (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MNMWOCCKEQXMIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-4-5-15(2)16(10-14)11-21-8-6-19(7-9-21)13-20-18(22)17(19)12-23-3/h4-5,10,17H,6-9,11-13H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97476753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).