(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

C14H19N3O2 — CID 124814377

IUPAC(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@@]2(C1)C(=O)NC[C@H]2COc1ccccn1
InChIInChI=1S/C14H19N3O2/c1-17-7-5-14(10-17)11(8-16-13(14)18)9-19-12-4-2-3-6-15-12/h2-4,6,11H,5,7-10H2,1H3,(H,16,18)/t11-,14-/m0/s1
InChIKeyUVGSMQJYJLHLDS-FZMZJTMJSA-N
MW261.32 g/mol
LogP0.53
Rot. Bonds3

About (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124814377) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124814377
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@@]2(C1)C(=O)NC[C@H]2COc1ccccn1
InChIInChI=1S/C14H19N3O2/c1-17-7-5-14(10-17)11(8-16-13(14)18)9-19-12-4-2-3-6-15-12/h2-4,6,11H,5,7-10H2,1H3,(H,16,18)/t11-,14-/m0/s1
InChIKeyUVGSMQJYJLHLDS-FZMZJTMJSA-N
XLogP0.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485043
(4R,5R)-7-[(5-methylthiophen-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124818084
(4R,5S)-7-[(5-methylfuran-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485564
(4R,5S)-7-[(5-methylthiophen-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97484989
(4S,5S)-7-(furan-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97482590
(4S,5S)-7-cyclopropylsulfonyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155831381
(4R,5S)-7-(pyridin-2-ylmethyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693538
(4R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 171695069
(4S,5S)-7-(2-fluoropyridine-4-carbonyl)-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155866871
(4S,5S)-4-(pyridin-2-yloxymethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155832919
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide
CID 124798897

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 124814377) is (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@@]2(C1)C(=O)NC[C@H]2COc1ccccn1.
What is the InChIKey of (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is UVGSMQJYJLHLDS-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-7-5-14(10-17)11(8-16-13(14)18)9-19-12-4-2-3-6-15-12/h2-4,6,11H,5,7-10H2,1H3,(H,16,18)/t11-,14-/m0/s1.
What are the key properties of (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 261.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124814377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).