(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one

C21H25N3O — CID 42344770

IUPAC(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(CN2CCC[C@@]3(CCN(c4ccccn4)C3)C2=O)c1
InChIInChI=1S/C21H25N3O/c1-17-6-4-7-18(14-17)15-23-12-5-9-21(20(23)25)10-13-24(16-21)19-8-2-3-11-22-19/h2-4,6-8,11,14H,5,9-10,12-13,15-16H2,1H3/t21-/m0/s1
InChIKeyYJGDFKGCBXFPQB-NRFANRHFSA-N
MW335.45 g/mol
LogP3.41
Rot. Bonds3

About (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42344770) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42344770
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(CN2CCC[C@@]3(CCN(c4ccccn4)C3)C2=O)c1
InChIInChI=1S/C21H25N3O/c1-17-6-4-7-18(14-17)15-23-12-5-9-21(20(23)25)10-13-24(16-21)19-8-2-3-11-22-19/h2-4,6-8,11,14H,5,9-10,12-13,15-16H2,1H3/t21-/m0/s1
InChIKeyYJGDFKGCBXFPQB-NRFANRHFSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
(5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 29002413
(5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451540
7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205279
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
2-butanoyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45179241
(5R)-7-[(3-methylphenyl)methyl]-2-(2-pyrazol-1-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42463064
2-(3-methylbutanoyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45198587
(5S)-7-[(3-methylphenyl)methyl]-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42474387
2-[(3-methylphenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131643293

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 42344770) is (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(CN2CCC[C@@]3(CCN(c4ccccn4)C3)C2=O)c1.
What is the InChIKey of (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YJGDFKGCBXFPQB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17-6-4-7-18(14-17)15-23-12-5-9-21(20(23)25)10-13-24(16-21)19-8-2-3-11-22-19/h2-4,6-8,11,14H,5,9-10,12-13,15-16H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 335.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42344770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).