[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C20H22N2O3 — CID 124759622

IUPAC[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C([C@@H]1OCCc2ccccc21)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C20H22N2O3/c23-20(19-18-4-2-1-3-15(18)9-14-24-19)22-12-7-17(8-13-22)25-16-5-10-21-11-6-16/h1-6,10-11,17,19H,7-9,12-14H2/t19-/m1/s1
InChIKeyHBDUTDJVDPABDT-LJQANCHMSA-N
MW338.41 g/mol
LogP2.77
Rot. Bonds3

About [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 124759622) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID124759622
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C([C@@H]1OCCc2ccccc21)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C20H22N2O3/c23-20(19-18-4-2-1-3-15(18)9-14-24-19)22-12-7-17(8-13-22)25-16-5-10-21-11-6-16/h1-6,10-11,17,19H,7-9,12-14H2/t19-/m1/s1
InChIKeyHBDUTDJVDPABDT-LJQANCHMSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone 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

3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255946
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
3,4-dihydro-1H-isochromen-1-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257497
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 122259530
[4-(1-aminoethyl)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 63594980
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone;hydrochloride
CID 119995077
3,4-dihydro-1H-isochromen-1-yl-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887984
3,4-dihydro-1H-isochromen-1-yl-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126789176
[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 124752647
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 79868678
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078

Frequently Asked Questions

What is the IUPAC name of [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 124759622) is [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone is O=C([C@@H]1OCCc2ccccc21)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is HBDUTDJVDPABDT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(19-18-4-2-1-3-15(18)9-14-24-19)22-12-7-17(8-13-22)25-16-5-10-21-11-6-16/h1-6,10-11,17,19H,7-9,12-14H2/t19-/m1/s1.
What are the key properties of [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 124759622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).