2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

C20H27N3O2 — CID 92863110

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](C)N1CCCC[C@@H]1C
InChIInChI=1S/C20H27N3O2/c1-14-8-6-7-11-22(14)15(2)12-21-19(24)13-23-16(3)17-9-4-5-10-18(17)20(23)25/h4-5,9-10,14-15H,3,6-8,11-13H2,1-2H3,(H,21,24)/t14-,15-/m0/s1
InChIKeyXEOCPZOHFLYUMW-GJZGRUSLSA-N
MW341.46 g/mol
LogP2.49
Rot. Bonds5

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 92863110) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
PubChem CID92863110
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](C)N1CCCC[C@@H]1C
InChIInChI=1S/C20H27N3O2/c1-14-8-6-7-11-22(14)15(2)12-21-19(24)13-23-16(3)17-9-4-5-10-18(17)20(23)25/h4-5,9-10,14-15H,3,6-8,11-13H2,1-2H3,(H,21,24)/t14-,15-/m0/s1
InChIKeyXEOCPZOHFLYUMW-GJZGRUSLSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55980936
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18137394
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 129368276
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86981058
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55609860
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (CID 92863110) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](C)N1CCCC[C@@H]1C.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is XEOCPZOHFLYUMW-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-8-6-7-11-22(14)15(2)12-21-19(24)13-23-16(3)17-9-4-5-10-18(17)20(23)25/h4-5,9-10,14-15H,3,6-8,11-13H2,1-2H3,(H,21,24)/t14-,15-/m0/s1.
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 92863110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).