2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one

C18H24N2O2 — CID 20905674

IUPAC2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one
SMILESCC(C)C(C(=O)N1CCCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H24N2O2/c1-13(2)16(18(22)19-10-6-3-7-11-19)20-12-14-8-4-5-9-15(14)17(20)21/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3
InChIKeyJLBQBZJKSKKISR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one

2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one (PubChem CID 20905674) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one
PubChem CID20905674
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one
SMILESCC(C)C(C(=O)N1CCCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H24N2O2/c1-13(2)16(18(22)19-10-6-3-7-11-19)20-12-14-8-4-5-9-15(14)17(20)21/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3
InChIKeyJLBQBZJKSKKISR-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

methyl 2-[1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]piperidin-4-yl]acetate
CID 71828292
1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbaldehyde
CID 142365191
2-[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)-1-oxobutan-2-yl]isoindole-1,3-dione
CID 78769156
2-[(2R)-3-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 155954386
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 3711420
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(1S)-11-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 127253133
2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 40542427
2-[3-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]isoindole-1,3-dione
CID 112771880
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 29132743

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one (CID 20905674) is 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one is CC(C)C(C(=O)N1CCCCC1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one?
The InChIKey is JLBQBZJKSKKISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)16(18(22)19-10-6-3-7-11-19)20-12-14-8-4-5-9-15(14)17(20)21/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one?
2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one has a molecular weight of 300.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 20905674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).