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

C20H22N2O3 — CID 122255946

IUPAC3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(C1OCCc2ccccc21)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C20H22N2O3/c23-20(19-18-6-2-1-4-15(18)9-13-24-19)22-12-3-5-17(14-22)25-16-7-10-21-11-8-16/h1-2,4,6-8,10-11,17,19H,3,5,9,12-14H2
InChIKeyUWGJQPNCFAFEDE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.77
Rot. Bonds3

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

3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122255946) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID122255946
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(C1OCCc2ccccc21)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C20H22N2O3/c23-20(19-18-6-2-1-4-15(18)9-13-24-19)22-12-3-5-17(14-22)25-16-7-10-21-11-8-16/h1-2,4,6-8,10-11,17,19H,3,5,9,12-14H2
InChIKeyUWGJQPNCFAFEDE-UHFFFAOYSA-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

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Related Compounds

[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 124759622
3,4-dihydro-1H-isochromen-1-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257497
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 122259530
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanone
CID 124677546
5-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122255655
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 79868678
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone (CID 122255946) is 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(C1OCCc2ccccc21)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is UWGJQPNCFAFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(19-18-6-2-1-4-15(18)9-13-24-19)22-12-3-5-17(14-22)25-16-7-10-21-11-8-16/h1-2,4,6-8,10-11,17,19H,3,5,9,12-14H2.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
3,4-dihydro-1H-isochromen-1-yl-(3-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 3,4-dihydro-1H-isochromen-1-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122255946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).