1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one

C21H29N5O2 — CID 58826302

IUPAC1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C(CN1CCC2(CC1)C(=O)Nc1cccnc12)N1CCN(C2CCC2)CC1
InChIInChI=1S/C21H29N5O2/c27-18(26-13-11-25(12-14-26)16-3-1-4-16)15-24-9-6-21(7-10-24)19-17(23-20(21)28)5-2-8-22-19/h2,5,8,16H,1,3-4,6-7,9-15H2,(H,23,28)
InChIKeyFVOJKXVQXYHQBQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.06
Rot. Bonds3

About 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one

1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 58826302) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one
PubChem CID58826302
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C(CN1CCC2(CC1)C(=O)Nc1cccnc12)N1CCN(C2CCC2)CC1
InChIInChI=1S/C21H29N5O2/c27-18(26-13-11-25(12-14-26)16-3-1-4-16)15-24-9-6-21(7-10-24)19-17(23-20(21)28)5-2-8-22-19/h2,5,8,16H,1,3-4,6-7,9-15H2,(H,23,28)
InChIKeyFVOJKXVQXYHQBQ-UHFFFAOYSA-N
XLogP1.06
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one with MolForge

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Related Compounds

8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one
CID 143404242
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
4'-(4-butanoyl-1,4-diazepan-1-yl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 134431872
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
2-[4-[2-(4-chlorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442664
2-[4-(2-amino-3-methylbenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442950
buta-1,3-diene;8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one
CID 143404241
4-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-1,4-diazepane-1-carboxylic acid
CID 166721147
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 58826219
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one (CID 58826302) is 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one is O=C(CN1CCC2(CC1)C(=O)Nc1cccnc12)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is FVOJKXVQXYHQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-18(26-13-11-25(12-14-26)16-3-1-4-16)15-24-9-6-21(7-10-24)19-17(23-20(21)28)5-2-8-22-19/h2,5,8,16H,1,3-4,6-7,9-15H2,(H,23,28).
What are the key properties of 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one?
1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 383.50 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 58826302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).