N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C19H26N2O3 — CID 51175479

IUPACN-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCC(C)(CNC(=O)C1Cc2ccccc2C(=O)O1)N1CCCCC1
InChIInChI=1S/C19H26N2O3/c1-19(2,21-10-6-3-7-11-21)13-20-17(22)16-12-14-8-4-5-9-15(14)18(23)24-16/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,20,22)
InChIKeyBPHSIKKJLMXFFE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.15
Rot. Bonds4

About N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51175479) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID51175479
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCC(C)(CNC(=O)C1Cc2ccccc2C(=O)O1)N1CCCCC1
InChIInChI=1S/C19H26N2O3/c1-19(2,21-10-6-3-7-11-21)13-20-17(22)16-12-14-8-4-5-9-15(14)18(23)24-16/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,20,22)
InChIKeyBPHSIKKJLMXFFE-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 39514039
1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 51079964
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 25409056
N-(2-tert-butylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43024444
(3S)-N-[2-(4-methylphenyl)-2-oxoethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7378930
1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30855892
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
(3S)-N-[2-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117473
(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 94002234
1-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 43062660

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 51175479) is N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is CC(C)(CNC(=O)C1Cc2ccccc2C(=O)O1)N1CCCCC1.
What is the InChIKey of N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is BPHSIKKJLMXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,21-10-6-3-7-11-21)13-20-17(22)16-12-14-8-4-5-9-15(14)18(23)24-16/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51175479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).