(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one

C21H23N3O2 — CID 97452786

IUPAC(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1
InChIInChI=1S/C21H23N3O2/c25-19(14-17-8-4-5-11-22-17)24-12-9-21(10-13-24)18(15-23-20(21)26)16-6-2-1-3-7-16/h1-8,11,18H,9-10,12-15H2,(H,23,26)/t18-/m0/s1
InChIKeyAEHCEQXCHLXVDM-SFHVURJKSA-N
MW349.43 g/mol
LogP2.15
Rot. Bonds3

About (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one

(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97452786) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97452786
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1
InChIInChI=1S/C21H23N3O2/c25-19(14-17-8-4-5-11-22-17)24-12-9-21(10-13-24)18(15-23-20(21)26)16-6-2-1-3-7-16/h1-8,11,18H,9-10,12-15H2,(H,23,26)/t18-/m0/s1
InChIKeyAEHCEQXCHLXVDM-SFHVURJKSA-N
XLogP2.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426
4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131657294
8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662428
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
(3S)-1-benzyl-3-methyl-3-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]azepan-2-one
CID 95832138
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97452786) is (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(Cc1ccccn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AEHCEQXCHLXVDM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19(14-17-8-4-5-11-22-17)24-12-9-21(10-13-24)18(15-23-20(21)26)16-6-2-1-3-7-16/h1-8,11,18H,9-10,12-15H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 349.43 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97452786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).