1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid

C23H28N4O3 — CID 118898021

IUPAC1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
SMILESCCn1ccc2ccc(CN3CC4(CC(N5CCC(C(=O)O)CC5)=NC4=O)C3)cc21
InChIInChI=1S/C23H28N4O3/c1-2-26-8-5-17-4-3-16(11-19(17)26)13-25-14-23(15-25)12-20(24-22(23)30)27-9-6-18(7-10-27)21(28)29/h3-5,8,11,18H,2,6-7,9-10,12-15H2,1H3,(H,28,29)
InChIKeyNEROCUBIMPMVMI-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid

1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid (PubChem CID 118898021) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
PubChem CID118898021
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
SMILESCCn1ccc2ccc(CN3CC4(CC(N5CCC(C(=O)O)CC5)=NC4=O)C3)cc21
InChIInChI=1S/C23H28N4O3/c1-2-26-8-5-17-4-3-16(11-19(17)26)13-25-14-23(15-25)12-20(24-22(23)30)27-9-6-18(7-10-27)21(28)29/h3-5,8,11,18H,2,6-7,9-10,12-15H2,1H3,(H,28,29)
InChIKeyNEROCUBIMPMVMI-UHFFFAOYSA-N
XLogP2.59
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70762800
6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56917221
4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56747101
1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 144687726
7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70734814
(3S,4S)-3-benzyl-1-[(1-ethylindol-5-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135098096
7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72894242
1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
CID 166293062
7-[1-[(1-ethylindol-6-yl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471481
1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
CID 82489037
(3aS,6aS)-5-[(1-ethylindol-5-yl)methyl]-2-(2-hydroxyethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72917804
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid (CID 118898021) is 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid is CCn1ccc2ccc(CN3CC4(CC(N5CCC(C(=O)O)CC5)=NC4=O)C3)cc21.
What is the InChIKey of 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid?
The InChIKey is NEROCUBIMPMVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-26-8-5-17-4-3-16(11-19(17)26)13-25-14-23(15-25)12-20(24-22(23)30)27-9-6-18(7-10-27)21(28)29/h3-5,8,11,18H,2,6-7,9-10,12-15H2,1H3,(H,28,29).
What are the key properties of 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid?
1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid has a molecular weight of 408.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 118898021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).