6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C21H26N4O — CID 11100216

IUPAC6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCc1ccc(C2CC3(NNC(=O)N3)C(C)C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C21H26N4O/c1-13-4-8-16(9-5-13)18-12-21(23-20(26)24-25-21)15(3)19(22-18)17-10-6-14(2)7-11-17/h4-11,15,18-19,22,25H,12H2,1-3H3,(H2,23,24,26)
InChIKeyFJWXUJLXPKGWOK-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.23
Rot. Bonds2

About 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 11100216) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID11100216
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCc1ccc(C2CC3(NNC(=O)N3)C(C)C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C21H26N4O/c1-13-4-8-16(9-5-13)18-12-21(23-20(26)24-25-21)15(3)19(22-18)17-10-6-14(2)7-11-17/h4-11,15,18-19,22,25H,12H2,1-3H3,(H2,23,24,26)
InChIKeyFJWXUJLXPKGWOK-UHFFFAOYSA-N
XLogP3.23
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one
CID 10018492
(NZ)-N-[3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 171985956
N-[3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 4711818
(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
CID 2065827
ethyl (4R,5R,7S)-4-methyl-5,7-diphenyl-6-azaspiro[2.5]octane-2-carboxylate
CID 100969299
3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66218189
2,6-dimethyl-4-(4-methylphenyl)piperidine
CID 59343380
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 98713917
(5R)-3-(4-methylphenyl)-5-phenylmorpholin-2-one
CID 11818002
(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
CID 43831630

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 11100216) is 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is Cc1ccc(C2CC3(NNC(=O)N3)C(C)C(c3ccc(C)cc3)N2)cc1.
What is the InChIKey of 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is FJWXUJLXPKGWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-13-4-8-16(9-5-13)18-12-21(23-20(26)24-25-21)15(3)19(22-18)17-10-6-14(2)7-11-17/h4-11,15,18-19,22,25H,12H2,1-3H3,(H2,23,24,26).
What are the key properties of 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 350.47 g/mol, XLogP of 3.23, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 11100216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).