2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one

C20H27N5O2 — CID 174095454

IUPAC2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one
SMILES[H]/N=C1\NC(=O)CCC1N1Cc2cc(N(C)C3CCCC3NC)ccc2C1=O
InChIInChI=1S/C20H27N5O2/c1-22-15-4-3-5-16(15)24(2)13-6-7-14-12(10-13)11-25(20(14)27)17-8-9-18(26)23-19(17)21/h6-7,10,15-17,22H,3-5,8-9,11H2,1-2H3,(H2,21,23,26)
InChIKeyLMCWWBJLAIUMGR-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one

2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one (PubChem CID 174095454) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one
PubChem CID174095454
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one
SMILES[H]/N=C1\NC(=O)CCC1N1Cc2cc(N(C)C3CCCC3NC)ccc2C1=O
InChIInChI=1S/C20H27N5O2/c1-22-15-4-3-5-16(15)24(2)13-6-7-14-12(10-13)11-25(20(14)27)17-8-9-18(26)23-19(17)21/h6-7,10,15-17,22H,3-5,8-9,11H2,1-2H3,(H2,21,23,26)
InChIKeyLMCWWBJLAIUMGR-UHFFFAOYSA-N
XLogP1.47
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one with MolForge

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Related Compounds

3-[6-[methyl-[2-(methylamino)cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296247
3-[6-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151505087
3-[6-[methyl-[(1R,6R)-6-(methylamino)cyclohex-3-en-1-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147938399
2-(2,6-dioxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]isoindole-1,3-dione
CID 151397660
3-[6-[methyl(pyrrolidin-3-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174206747
3-[7-fluoro-6-[methyl-[(1S)-2-(methylamino)cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166865134
3-[4-[[methyl-[(1R,2R)-2-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727064
3-[7-[[methyl-[(1R,2R)-2-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736040
3-[3-oxo-6-[[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150749033
3-[6-[(2-aminocyclopentyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296265
3-[6-[[[3-(methylamino)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733939
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-methylamino]ethyl methanesulfonate
CID 169029217

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one?
The IUPAC name of 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one (CID 174095454) is 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one?
The canonical SMILES for 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one is [H]/N=C1\NC(=O)CCC1N1Cc2cc(N(C)C3CCCC3NC)ccc2C1=O.
What is the InChIKey of 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one?
The InChIKey is LMCWWBJLAIUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-22-15-4-3-5-16(15)24(2)13-6-7-14-12(10-13)11-25(20(14)27)17-8-9-18(26)23-19(17)21/h6-7,10,15-17,22H,3-5,8-9,11H2,1-2H3,(H2,21,23,26).
What are the key properties of 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one?
2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one has a molecular weight of 369.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-6-oxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]-3H-isoindol-1-one is sourced from PubChem (CID 174095454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).