9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one

C20H24N4O2 — CID 134805740

IUPAC9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCc1ccc(CN2CC3(COCC2=O)CN(c2cnccn2)C3)cc1C
InChIInChI=1S/C20H24N4O2/c1-15-3-4-17(7-16(15)2)9-23-11-20(14-26-10-19(23)25)12-24(13-20)18-8-21-5-6-22-18/h3-8H,9-14H2,1-2H3
InChIKeyQHZLKUKITJPBDR-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.96
Rot. Bonds3

About 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one

9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134805740) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134805740
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCc1ccc(CN2CC3(COCC2=O)CN(c2cnccn2)C3)cc1C
InChIInChI=1S/C20H24N4O2/c1-15-3-4-17(7-16(15)2)9-23-11-20(14-26-10-19(23)25)12-24(13-20)18-8-21-5-6-22-18/h3-8H,9-14H2,1-2H3
InChIKeyQHZLKUKITJPBDR-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(2-Methylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806381
9-[(2,6-Dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134807046
9-[(4-Tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805794
2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819529
1-[(2,5-Dimethylphenyl)methyl]-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
CID 57407186
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819291
N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819525
N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819527
2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819530
N-Ethyl-2-methoxy-N-({1-[(2,4,6-trimethylphenyl)methyl]-1H-imidazol-2-YL}methyl)acetamide
CID 83282304
10-[(2,5-Dimethylphenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
CID 145934179

Frequently Asked Questions

What is the IUPAC name of 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134805740) is 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one is Cc1ccc(CN2CC3(COCC2=O)CN(c2cnccn2)C3)cc1C.
What is the InChIKey of 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is QHZLKUKITJPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-3-4-17(7-16(15)2)9-23-11-20(14-26-10-19(23)25)12-24(13-20)18-8-21-5-6-22-18/h3-8H,9-14H2,1-2H3.
What are the key properties of 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 352.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,4-dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134805740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).