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

C16H22N2O2 — CID 119428540

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
SMILESO=C(CC1OCCc2ccccc21)NC1CCCNC1
InChIInChI=1S/C16H22N2O2/c19-16(18-13-5-3-8-17-11-13)10-15-14-6-2-1-4-12(14)7-9-20-15/h1-2,4,6,13,15,17H,3,5,7-11H2,(H,18,19)
InChIKeyVNNCAWZYUZHRLV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.56
Rot. Bonds3

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

2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide (PubChem CID 119428540) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
PubChem CID119428540
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
SMILESO=C(CC1OCCc2ccccc21)NC1CCCNC1
InChIInChI=1S/C16H22N2O2/c19-16(18-13-5-3-8-17-11-13)10-15-14-6-2-1-4-12(14)7-9-20-15/h1-2,4,6,13,15,17H,3,5,7-11H2,(H,18,19)
InChIKeyVNNCAWZYUZHRLV-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119458979
2-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537513
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[(3R)-1-propanoylpyrrolidin-3-yl]acetamide
CID 96542700
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
N-piperidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119427896
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one
CID 116586320
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 103815781
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 124570696
(1S,2R,3S,4S)-3-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 129425010
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide (CID 119428540) is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide is O=C(CC1OCCc2ccccc21)NC1CCCNC1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide?
The InChIKey is VNNCAWZYUZHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-13-5-3-8-17-11-13)10-15-14-6-2-1-4-12(14)7-9-20-15/h1-2,4,6,13,15,17H,3,5,7-11H2,(H,18,19).
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide?
2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide is sourced from PubChem (CID 119428540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).