3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H31N5O4 — CID 156500770

IUPAC3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNc1ncccc1CN1CCCCC1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H31N5O4/c1-27-24-17(5-4-11-28-24)14-30-12-3-2-6-19(30)16-35-20-7-8-21-18(13-20)15-31(26(21)34)22-9-10-23(32)29-25(22)33/h4-5,7-8,11,13,19,22H,2-3,6,9-10,12,14-16H2,1H3,(H,27,28)(H,29,32,33)
InChIKeyAIWHAVFIOWAVBF-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.32
Rot. Bonds7

About 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500770) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156500770
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNc1ncccc1CN1CCCCC1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H31N5O4/c1-27-24-17(5-4-11-28-24)14-30-12-3-2-6-19(30)16-35-20-7-8-21-18(13-20)15-31(26(21)34)22-9-10-23(32)29-25(22)33/h4-5,7-8,11,13,19,22H,2-3,6,9-10,12,14-16H2,1H3,(H,27,28)(H,29,32,33)
InChIKeyAIWHAVFIOWAVBF-UHFFFAOYSA-N
XLogP2.32
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500798
2-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzonitrile
CID 156500707
3-[3-oxo-6-[[(2S)-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512034
3-[6-[[(2R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501026
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672
3-[6-[[(2R)-1-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500977
3-[6-[[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174201274
3-[6-[[(2R)-1-[(3-methylcyclobutyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174202485
3-[6-[[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500759
3-[6-[[(2R)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500784
3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500932
4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-3-methoxybenzonitrile
CID 156500609

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500770) is 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNc1ncccc1CN1CCCCC1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AIWHAVFIOWAVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-27-24-17(5-4-11-28-24)14-30-12-3-2-6-19(30)16-35-20-7-8-21-18(13-20)15-31(26(21)34)22-9-10-23(32)29-25(22)33/h4-5,7-8,11,13,19,22H,2-3,6,9-10,12,14-16H2,1H3,(H,27,28)(H,29,32,33).
What are the key properties of 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 477.57 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).