N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide

C17H22N2O3 — CID 2900873

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(NCC1OCCc2ccccc21)C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3/c20-16(17(21)19-9-4-1-5-10-19)18-12-15-14-7-3-2-6-13(14)8-11-22-15/h2-3,6-7,15H,1,4-5,8-12H2,(H,18,20)
InChIKeySTKAUACEVJPOED-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.43
Rot. Bonds2

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 2900873) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide
PubChem CID2900873
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(NCC1OCCc2ccccc21)C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3/c20-16(17(21)19-9-4-1-5-10-19)18-12-15-14-7-3-2-6-13(14)8-11-22-15/h2-3,6-7,15H,1,4-5,8-12H2,(H,18,20)
InChIKeySTKAUACEVJPOED-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide (CID 2900873) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide is O=C(NCC1OCCc2ccccc21)C(=O)N1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is STKAUACEVJPOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(17(21)19-9-4-1-5-10-19)18-12-15-14-7-3-2-6-13(14)8-11-22-15/h2-3,6-7,15H,1,4-5,8-12H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 302.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2900873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).