5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one

C25H29N3O2 — CID 138998945

IUPAC5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(=O)N3CCC4(CCN(Cc5ccccc5)C4)C3)cc21
InChIInChI=1S/C25H29N3O2/c1-24(2)20-14-19(8-9-21(20)26-23(24)30)22(29)28-13-11-25(17-28)10-12-27(16-25)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,26,30)
InChIKeyROOQHSGOZFCQFV-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.65
Rot. Bonds3

About 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one

5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 138998945) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID138998945
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(=O)N3CCC4(CCN(Cc5ccccc5)C4)C3)cc21
InChIInChI=1S/C25H29N3O2/c1-24(2)20-14-19(8-9-21(20)26-23(24)30)22(29)28-13-11-25(17-28)10-12-27(16-25)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,26,30)
InChIKeyROOQHSGOZFCQFV-UHFFFAOYSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one with MolForge

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Related Compounds

3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 166199217
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 166199211
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]methanone
CID 46896700
4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812671
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42289303
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
CID 164631595
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949

Frequently Asked Questions

What is the IUPAC name of 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one (CID 138998945) is 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(C(=O)N3CCC4(CCN(Cc5ccccc5)C4)C3)cc21.
What is the InChIKey of 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ROOQHSGOZFCQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-24(2)20-14-19(8-9-21(20)26-23(24)30)22(29)28-13-11-25(17-28)10-12-27(16-25)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,26,30).
What are the key properties of 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one?
5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 403.53 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 138998945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).