2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one

C20H22N4O2 — CID 86285552

IUPAC2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one
SMILESO=C(CCN1Cc2ccccc2C1=O)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C20H22N4O2/c25-19(8-11-24-12-15-4-1-2-6-17(15)20(24)26)23-10-3-5-16(13-23)18-7-9-21-14-22-18/h1-2,4,6-7,9,14,16H,3,5,8,10-13H2
InChIKeyUFPZSCRKVUUVTM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.23
Rot. Bonds4

About 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one

2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one (PubChem CID 86285552) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one
PubChem CID86285552
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one
SMILESO=C(CCN1Cc2ccccc2C1=O)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C20H22N4O2/c25-19(8-11-24-12-15-4-1-2-6-17(15)20(24)26)23-10-3-5-16(13-23)18-7-9-21-14-22-18/h1-2,4,6-7,9,14,16H,3,5,8,10-13H2
InChIKeyUFPZSCRKVUUVTM-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[3-[4-(dimethylamino)azepan-1-yl]-3-oxopropyl]-3H-isoindol-1-one
CID 56903278
5-methyl-2-[(3S)-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
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2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
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1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 90649172
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
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CID 124971378
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
(E)-3-phenyl-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]prop-2-en-1-one
CID 125018008
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one?
The IUPAC name of 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one (CID 86285552) is 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one is O=C(CCN1Cc2ccccc2C1=O)N1CCCC(c2ccncn2)C1.
What is the InChIKey of 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one?
The InChIKey is UFPZSCRKVUUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(8-11-24-12-15-4-1-2-6-17(15)20(24)26)23-10-3-5-16(13-23)18-7-9-21-14-22-18/h1-2,4,6-7,9,14,16H,3,5,8,10-13H2.
What are the key properties of 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one?
2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(3-pyrimidin-4-ylpiperidin-1-yl)propyl]-3H-isoindol-1-one is sourced from PubChem (CID 86285552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).