3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H17N3O2 — CID 75447180

IUPAC3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O2/c20-14-16(7-3-4-8-16)18-15(21)19(14)10-12-9-11-5-1-2-6-13(11)17-12/h1-2,5-6,9,17H,3-4,7-8,10H2,(H,18,21)
InChIKeyQOKPFBBMZFRTMQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.53
Rot. Bonds2

About 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 75447180) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID75447180
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O2/c20-14-16(7-3-4-8-16)18-15(21)19(14)10-12-9-11-5-1-2-6-13(11)17-12/h1-2,5-6,9,17H,3-4,7-8,10H2,(H,18,21)
InChIKeyQOKPFBBMZFRTMQ-UHFFFAOYSA-N
XLogP2.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75517307
1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56910560
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355134
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 163355154
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 75447180) is 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QOKPFBBMZFRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-14-16(7-3-4-8-16)18-15(21)19(14)10-12-9-11-5-1-2-6-13(11)17-12/h1-2,5-6,9,17H,3-4,7-8,10H2,(H,18,21).
What are the key properties of 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 75447180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).