3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C20H23N3O2 — CID 56885426

IUPAC3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(Cc3ccc(-c4ccccn4)cc3)C2)OC1=O
InChIInChI=1S/C20H23N3O2/c1-22-14-20(25-19(22)24)10-4-12-23(15-20)13-16-6-8-17(9-7-16)18-5-2-3-11-21-18/h2-3,5-9,11H,4,10,12-15H2,1H3
InChIKeyATWSVBVQQZJCMH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds3

About 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56885426) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56885426
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(Cc3ccc(-c4ccccn4)cc3)C2)OC1=O
InChIInChI=1S/C20H23N3O2/c1-22-14-20(25-19(22)24)10-4-12-23(15-20)13-16-6-8-17(9-7-16)18-5-2-3-11-21-18/h2-3,5-9,11H,4,10,12-15H2,1H3
InChIKeyATWSVBVQQZJCMH-UHFFFAOYSA-N
XLogP3.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

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CID 12884174
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CID 5942248
Indole-1-carboxylic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester
CID 10061682
Tert-butyl 4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 56682377
Ethyl 3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 42602913
(4S)-3-[4-(2-fluoro-5-pyridin-2-yl-3-pyridinyl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 89813932
(S)-3-(4-(6-fluoro-[3,3'-bipyridin]-5-yl)phenyl)-5,5-dimethyl-4-phenyloxazolidin-2-one
CID 89814120
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(2-pyridyl)ethyl)-
CID 212038
(R)-5-methyl-3-(4-(pyridin-4-yl)benzyl)oxazolidin-2-one
CID 44591774
(R)-5-methyl-3-(4-(pyridin-3-yl)benzyl)oxazolidin-2-one
CID 44591792
(R)-3-((6-(3,4-difluorophenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591796
(R)-3-((5-(3,4-difluorophenyl)pyridin-2-yl)methyl)-5-methyloxazolidin-2-one
CID 44591797

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56885426) is 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(Cc3ccc(-c4ccccn4)cc3)C2)OC1=O.
What is the InChIKey of 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ATWSVBVQQZJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-14-20(25-19(22)24)10-4-12-23(15-20)13-16-6-8-17(9-7-16)18-5-2-3-11-21-18/h2-3,5-9,11H,4,10,12-15H2,1H3.
What are the key properties of 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56885426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).