2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one

C23H26N2O3 — CID 46277897

IUPAC2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
SMILESCOc1ccc(C(CC(=O)N2CCCCC2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-11-9-17(10-12-19)21(15-22(26)24-13-5-2-6-14-24)25-16-18-7-3-4-8-20(18)23(25)27/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeySKYINMFEDKBPEV-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.79
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one

2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one (PubChem CID 46277897) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
PubChem CID46277897
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
SMILESCOc1ccc(C(CC(=O)N2CCCCC2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-11-9-17(10-12-19)21(15-22(26)24-13-5-2-6-14-24)25-16-18-7-3-4-8-20(18)23(25)27/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeySKYINMFEDKBPEV-UHFFFAOYSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
CID 46278125
2-[(1S)-3-hydroxy-1-(4-methoxyphenyl)propyl]-3H-isoindol-1-one
CID 7096738
2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid
CID 69217122
[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino] acetate
CID 87748558
2-[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3H-isoindol-1-one
CID 92723016
2-[(1S)-1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-3H-isoindol-1-one
CID 92723113
N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277871
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277936
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277908
methyl 4-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]benzoate
CID 46277925
(3S)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92690856
2-[(1S)-3-(4-ethylpiperazin-1-yl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-3H-isoindol-1-one
CID 92691248

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one (CID 46277897) is 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one is COc1ccc(C(CC(=O)N2CCCCC2)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
The InChIKey is SKYINMFEDKBPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-19-11-9-17(10-12-19)21(15-22(26)24-13-5-2-6-14-24)25-16-18-7-3-4-8-20(18)23(25)27/h3-4,7-12,21H,2,5-6,13-16H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one has a molecular weight of 378.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one is sourced from PubChem (CID 46277897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).