6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C22H26N4O3 — CID 46691187

IUPAC6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2=O
InChIInChI=1S/C22H26N4O3/c1-14-6-4-5-10-22(14)20(28)26(21(29)24-22)13-19(27)25-11-9-18-16(12-25)15-7-2-3-8-17(15)23-18/h2-3,7-8,14,23H,4-6,9-13H2,1H3,(H,24,29)
InChIKeyWPQOMXXMYWHIDX-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.55
Rot. Bonds2

About 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 46691187) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID46691187
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2=O
InChIInChI=1S/C22H26N4O3/c1-14-6-4-5-10-22(14)20(28)26(21(29)24-22)13-19(27)25-11-9-18-16(12-25)15-7-2-3-8-17(15)23-18/h2-3,7-8,14,23H,4-6,9-13H2,1H3,(H,24,29)
InChIKeyWPQOMXXMYWHIDX-UHFFFAOYSA-N
XLogP2.55
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2703375
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469701
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919535
(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51930342
(5S,6S)-6-methyl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9292307
3-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86817043
(5S,6R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124718752
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 46691187) is 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCCC12NC(=O)N(CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2=O.
What is the InChIKey of 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WPQOMXXMYWHIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-6-4-5-10-22(14)20(28)26(21(29)24-22)13-19(27)25-11-9-18-16(12-25)15-7-2-3-8-17(15)23-18/h2-3,7-8,14,23H,4-6,9-13H2,1H3,(H,24,29).
What are the key properties of 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 394.48 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46691187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).