3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide

C15H19N3O2 — CID 24937704

IUPAC3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(CC1CCCNC1)C2
InChIInChI=1S/C15H19N3O2/c16-14(19)12-5-1-4-11-9-18(15(20)13(11)12)8-10-3-2-6-17-7-10/h1,4-5,10,17H,2-3,6-9H2,(H2,16,19)
InChIKeyJPZJMFCHXFYJPI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.74
Rot. Bonds3

About 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide

3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 24937704) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID24937704
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(CC1CCCNC1)C2
InChIInChI=1S/C15H19N3O2/c16-14(19)12-5-1-4-11-9-18(15(20)13(11)12)8-10-3-2-6-17-7-10/h1,4-5,10,17H,2-3,6-9H2,(H2,16,19)
InChIKeyJPZJMFCHXFYJPI-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Nvp-dky709
CID 137519326
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
Itareparib
CID 73774960
(R)-Thalidomide
CID 75792
N-(2-Methylallyl)-phthalimide
CID 231838

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide (CID 24937704) is 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(CC1CCCNC1)C2.
What is the InChIKey of 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is JPZJMFCHXFYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-14(19)12-5-1-4-11-9-18(15(20)13(11)12)8-10-3-2-6-17-7-10/h1,4-5,10,17H,2-3,6-9H2,(H2,16,19).
What are the key properties of 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide?
3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(piperidin-3-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).