(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C17H23N3O3 — CID 97474206

IUPAC(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@H]1C(=O)NCC12CCN(C(=O)c1cncc(C)c1)CC2
InChIInChI=1S/C17H23N3O3/c1-12-7-13(9-18-8-12)16(22)20-5-3-17(4-6-20)11-19-15(21)14(17)10-23-2/h7-9,14H,3-6,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyIWEFNWNFLRPVPD-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.00
Rot. Bonds3

About (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97474206) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97474206
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@H]1C(=O)NCC12CCN(C(=O)c1cncc(C)c1)CC2
InChIInChI=1S/C17H23N3O3/c1-12-7-13(9-18-8-12)16(22)20-5-3-17(4-6-20)11-19-15(21)14(17)10-23-2/h7-9,14H,3-6,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyIWEFNWNFLRPVPD-AWEZNQCLSA-N
XLogP1.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476567
(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476246
4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133136840
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
CID 131663291
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 166282415
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone
CID 131660406
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469870
(3,5-dimethylphenyl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 91922040

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97474206) is (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COC[C@H]1C(=O)NCC12CCN(C(=O)c1cncc(C)c1)CC2.
What is the InChIKey of (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is IWEFNWNFLRPVPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-7-13(9-18-8-12)16(22)20-5-3-17(4-6-20)11-19-15(21)14(17)10-23-2/h7-9,14H,3-6,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 317.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97474206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).