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

C22H28N4O2 — CID 134805794

IUPAC9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCC(C)(C)c1ccc(CN2CC3(COCC2=O)CN(c2cnccn2)C3)cc1
InChIInChI=1S/C22H28N4O2/c1-21(2,3)18-6-4-17(5-7-18)11-25-13-22(16-28-12-20(25)27)14-26(15-22)19-10-23-8-9-24-19/h4-10H,11-16H2,1-3H3
InChIKeyQFTHTRVIMYEDNK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.64
Rot. Bonds3

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

9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134805794) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134805794
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCC(C)(C)c1ccc(CN2CC3(COCC2=O)CN(c2cnccn2)C3)cc1
InChIInChI=1S/C22H28N4O2/c1-21(2,3)18-6-4-17(5-7-18)11-25-13-22(16-28-12-20(25)27)14-26(15-22)19-10-23-8-9-24-19/h4-10H,11-16H2,1-3H3
InChIKeyQFTHTRVIMYEDNK-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(3,4-Dimethylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805740
2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819529
(5S)-2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 129549247
(5R)-2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 129549250
2-Benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679061
1-(3,3-Dimethyl-2-phenylazetidin-1-yl)-2-[(1-methylimidazol-2-yl)methoxy]ethanone
CID 132405546
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-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134805794) is 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one is CC(C)(C)c1ccc(CN2CC3(COCC2=O)CN(c2cnccn2)C3)cc1.
What is the InChIKey of 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is QFTHTRVIMYEDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-21(2,3)18-6-4-17(5-7-18)11-25-13-22(16-28-12-20(25)27)14-26(15-22)19-10-23-8-9-24-19/h4-10H,11-16H2,1-3H3.
What are the key properties of 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 380.49 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-tert-butylphenyl)methyl]-2-pyrazin-2-yl-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134805794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).