2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one

C18H26N4O2 — CID 175297258

IUPAC2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one
SMILESO=C1c2ccc(OCC3CCCCN3)cc2CN1C1CNCCN1
InChIInChI=1S/C18H26N4O2/c23-18-16-5-4-15(24-12-14-3-1-2-6-20-14)9-13(16)11-22(18)17-10-19-7-8-21-17/h4-5,9,14,17,19-21H,1-3,6-8,10-12H2
InChIKeyHOSDUXZSYICUNP-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.68
Rot. Bonds4

About 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one

2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one (PubChem CID 175297258) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one
PubChem CID175297258
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one
SMILESO=C1c2ccc(OCC3CCCCN3)cc2CN1C1CNCCN1
InChIInChI=1S/C18H26N4O2/c23-18-16-5-4-15(24-12-14-3-1-2-6-20-14)9-13(16)11-22(18)17-10-19-7-8-21-17/h4-5,9,14,17,19-21H,1-3,6-8,10-12H2
InChIKeyHOSDUXZSYICUNP-UHFFFAOYSA-N
XLogP0.68
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500476
3-[6-[[(3R)-morpholin-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 163268151
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine
CID 84684744
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 167536201
2-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzonitrile
CID 156500707

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one?
The IUPAC name of 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one (CID 175297258) is 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one.
What is the SMILES notation for 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one?
The canonical SMILES for 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one is O=C1c2ccc(OCC3CCCCN3)cc2CN1C1CNCCN1.
What is the InChIKey of 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one?
The InChIKey is HOSDUXZSYICUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-18-16-5-4-15(24-12-14-3-1-2-6-20-14)9-13(16)11-22(18)17-10-19-7-8-21-17/h4-5,9,14,17,19-21H,1-3,6-8,10-12H2.
What are the key properties of 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one?
2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one has a molecular weight of 330.43 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one is sourced from PubChem (CID 175297258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).