6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one

C21H23N3O2 — CID 118743512

IUPAC6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCN2C(=O)Cc2ccccc2)CN1c1cccnc1
InChIInChI=1S/C21H23N3O2/c25-19(13-17-7-2-1-3-8-17)24-12-5-4-10-21(24)14-20(26)23(16-21)18-9-6-11-22-15-18/h1-3,6-9,11,15H,4-5,10,12-14,16H2
InChIKeyKCGHNURKSUVPTQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.81
Rot. Bonds3

About 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one

6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118743512) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118743512
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCN2C(=O)Cc2ccccc2)CN1c1cccnc1
InChIInChI=1S/C21H23N3O2/c25-19(13-17-7-2-1-3-8-17)24-12-5-4-10-21(24)14-20(26)23(16-21)18-9-6-11-22-15-18/h1-3,6-9,11,15H,4-5,10,12-14,16H2
InChIKeyKCGHNURKSUVPTQ-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one (CID 118743512) is 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one is O=C1CC2(CCCCN2C(=O)Cc2ccccc2)CN1c1cccnc1.
What is the InChIKey of 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is KCGHNURKSUVPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19(13-17-7-2-1-3-8-17)24-12-5-4-10-21(24)14-20(26)23(16-21)18-9-6-11-22-15-18/h1-3,6-9,11,15H,4-5,10,12-14,16H2.
What are the key properties of 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one?
6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 349.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylacetyl)-2-pyridin-3-yl-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118743512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).