[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone

C23H23N3O2 — CID 167847240

IUPAC[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1
InChIInChI=1S/C23H23N3O2/c27-21(17-4-2-1-3-5-17)25-12-9-23(15-25)10-13-26(16-23)22(28)19-6-7-20-18(14-19)8-11-24-20/h1-8,11,14,24H,9-10,12-13,15-16H2
InChIKeyVALUXNNUPJQUJA-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.55
Rot. Bonds2

About [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone

[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone (PubChem CID 167847240) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
PubChem CID167847240
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1
InChIInChI=1S/C23H23N3O2/c27-21(17-4-2-1-3-5-17)25-12-9-23(15-25)10-13-26(16-23)22(28)19-6-7-20-18(14-19)8-11-24-20/h1-8,11,14,24H,9-10,12-13,15-16H2
InChIKeyVALUXNNUPJQUJA-UHFFFAOYSA-N
XLogP3.55
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[7-(2-hydroxyethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(1H-indol-5-yl)methanone
CID 167945951
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97452861
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131656588
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
ethyl (3S)-1-(1H-indole-5-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 26334422

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone?
The IUPAC name of [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone (CID 167847240) is [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone.
What is the SMILES notation for [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone?
The canonical SMILES for [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1.
What is the InChIKey of [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone?
The InChIKey is VALUXNNUPJQUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21(17-4-2-1-3-5-17)25-12-9-23(15-25)10-13-26(16-23)22(28)19-6-7-20-18(14-19)8-11-24-20/h1-8,11,14,24H,9-10,12-13,15-16H2.
What are the key properties of [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone?
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone has a molecular weight of 373.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone is sourced from PubChem (CID 167847240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).