8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C20H23N3O3 — CID 118744339

IUPAC8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)n1
InChIInChI=1S/C20H23N3O3/c1-16-6-5-9-18(21-16)22-10-11-25-15-20(13-22)14-23(19(24)12-26-20)17-7-3-2-4-8-17/h2-9H,10-15H2,1H3
InChIKeyOKPDNKMCTWXQID-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.03
Rot. Bonds2

About 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118744339) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118744339
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)n1
InChIInChI=1S/C20H23N3O3/c1-16-6-5-9-18(21-16)22-10-11-25-15-20(13-22)14-23(19(24)12-26-20)17-7-3-2-4-8-17/h2-9H,10-15H2,1H3
InChIKeyOKPDNKMCTWXQID-UHFFFAOYSA-N
XLogP2.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-[6-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567743
[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone
CID 97391284
8-(6-Methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740699
8-(6-Methyl-2-pyridinyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740701
4-(3-Methylphenyl)-8-pyrimidin-4-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740875
4-(3-Fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740877
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744809
8-(6-Methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 118744338
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 118744808
N-(2,2-dimethylpropyl)-N-(6-methyl-2-pyridinyl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164634912
(6R)-4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97502818
(6S)-4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97502819

Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118744339) is 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is Cc1cccc(N2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)n1.
What is the InChIKey of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is OKPDNKMCTWXQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-16-6-5-9-18(21-16)22-10-11-25-15-20(13-22)14-23(19(24)12-26-20)17-7-3-2-4-8-17/h2-9H,10-15H2,1H3.
What are the key properties of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 353.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118744339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).