(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone

C19H25N3O — CID 146098508

IUPAC(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
SMILESCCN1CCCC2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1
InChIInChI=1S/C19H25N3O/c1-2-21-10-3-7-19(13-21)8-11-22(14-19)18(23)16-4-5-17-15(12-16)6-9-20-17/h4-6,9,12,20H,2-3,7-8,10-11,13-14H2,1H3
InChIKeyJDQJRUPDRRVOEN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.12
Rot. Bonds2

About (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone

(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone (PubChem CID 146098508) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
PubChem CID146098508
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
SMILESCCN1CCCC2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1
InChIInChI=1S/C19H25N3O/c1-2-21-10-3-7-19(13-21)8-11-22(14-19)18(23)16-4-5-17-15(12-16)6-9-20-17/h4-6,9,12,20H,2-3,7-8,10-11,13-14H2,1H3
InChIKeyJDQJRUPDRRVOEN-UHFFFAOYSA-N
XLogP3.12
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.12
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
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131656588
(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
CID 131909207
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
ethyl (3S)-1-(1H-indole-5-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 26334422
(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574143
3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42289303
8-(1H-indole-5-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131655985

Frequently Asked Questions

What is the IUPAC name of (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone?
The IUPAC name of (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone (CID 146098508) is (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone.
What is the SMILES notation for (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone?
The canonical SMILES for (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone is CCN1CCCC2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1.
What is the InChIKey of (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone?
The InChIKey is JDQJRUPDRRVOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-21-10-3-7-19(13-21)8-11-22(14-19)18(23)16-4-5-17-15(12-16)6-9-20-17/h4-6,9,12,20H,2-3,7-8,10-11,13-14H2,1H3.
What are the key properties of (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone?
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone is sourced from PubChem (CID 146098508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).