2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide

C22H29N3O4 — CID 110347576

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
SMILESCC(C)CC(C(=O)N[C@@H](C)C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H29N3O4/c1-14(2)13-18(25-21(28)16-9-5-6-10-17(16)22(25)29)19(26)23-15(3)20(27)24-11-7-4-8-12-24/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,23,26)/t15-,18?/m0/s1
InChIKeyOGHQXDOGMIENHK-BUSXIPJBSA-N
MW399.49 g/mol
LogP2.21
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide (PubChem CID 110347576) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
PubChem CID110347576
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
SMILESCC(C)CC(C(=O)N[C@@H](C)C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H29N3O4/c1-14(2)13-18(25-21(28)16-9-5-6-10-17(16)22(25)29)19(26)23-15(3)20(27)24-11-7-4-8-12-24/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,23,26)/t15-,18?/m0/s1
InChIKeyOGHQXDOGMIENHK-BUSXIPJBSA-N
XLogP2.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 112761326
2-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 118729481
2-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167505
2-[1-(3,4-dihydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 72591163
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 2856106
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1-pyridin-2-ylethyl)pentanamide
CID 112758996
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 110285122
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
CID 110351376

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide (CID 110347576) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide is CC(C)CC(C(=O)N[C@@H](C)C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide?
The InChIKey is OGHQXDOGMIENHK-BUSXIPJBSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-14(2)13-18(25-21(28)16-9-5-6-10-17(16)22(25)29)19(26)23-15(3)20(27)24-11-7-4-8-12-24/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,23,26)/t15-,18?/m0/s1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide has a molecular weight of 399.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide is sourced from PubChem (CID 110347576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).