(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C17H25N3O2 — CID 97476427

IUPAC(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2
InChIInChI=1S/C17H25N3O2/c1-13-4-3-5-14(19-13)10-20-8-6-17(7-9-20)12-18-16(21)15(17)11-22-2/h3-5,15H,6-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyDXYCRNGBYGMBDH-HNNXBMFYSA-N
MW303.41 g/mol
LogP1.36
Rot. Bonds4

About (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97476427) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97476427
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2
InChIInChI=1S/C17H25N3O2/c1-13-4-3-5-14(19-13)10-20-8-6-17(7-9-20)12-18-16(21)15(17)11-22-2/h3-5,15H,6-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyDXYCRNGBYGMBDH-HNNXBMFYSA-N
XLogP1.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one 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

4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
(4R)-8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476753
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
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)-2-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155865418
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487163
(4R,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124793847
5-(methoxymethyl)-9-[(6-methyl-2-pyridinyl)methyl]-3-oxa-9-azaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155847593
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
4-ethyl-1-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398686
4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133136840

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97476427) is (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is COC[C@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2.
What is the InChIKey of (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DXYCRNGBYGMBDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-4-3-5-14(19-13)10-20-8-6-17(7-9-20)12-18-16(21)15(17)11-22-2/h3-5,15H,6-12H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97476427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).