2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide

C20H27N3O2 — CID 67200134

IUPAC2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide
SMILESCC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H27N3O2/c1-13-16-7-4-8-17(19(21)24)18(16)20(25)23(13)15-9-11-22(12-10-15)14-5-2-3-6-14/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3,(H2,21,24)
InChIKeyHOIWEAAFNXNYPY-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.71
Rot. Bonds3

About 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide

2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 67200134) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID67200134
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide
SMILESCC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H27N3O2/c1-13-16-7-4-8-17(19(21)24)18(16)20(25)23(13)15-9-11-22(12-10-15)14-5-2-3-6-14/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3,(H2,21,24)
InChIKeyHOIWEAAFNXNYPY-UHFFFAOYSA-N
XLogP2.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide (CID 67200134) is 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide is CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is HOIWEAAFNXNYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-16-7-4-8-17(19(21)24)18(16)20(25)23(13)15-9-11-22(12-10-15)14-5-2-3-6-14/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3,(H2,21,24).
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide?
2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 67200134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).