4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one

C24H30N2O5 — CID 70573175

IUPAC4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
SMILESCOc1ccccc1OCC1CCN(CC(O)COc2cccc3c2CC(=O)N3)CC1
InChIInChI=1S/C24H30N2O5/c1-29-22-6-2-3-7-23(22)30-15-17-9-11-26(12-10-17)14-18(27)16-31-21-8-4-5-20-19(21)13-24(28)25-20/h2-8,17-18,27H,9-16H2,1H3,(H,25,28)
InChIKeySZBBSASXOUCUQX-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.72
Rot. Bonds9

About 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one

4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one (PubChem CID 70573175) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
PubChem CID70573175
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
SMILESCOc1ccccc1OCC1CCN(CC(O)COc2cccc3c2CC(=O)N3)CC1
InChIInChI=1S/C24H30N2O5/c1-29-22-6-2-3-7-23(22)30-15-17-9-11-26(12-10-17)14-18(27)16-31-21-8-4-5-20-19(21)13-24(28)25-20/h2-8,17-18,27H,9-16H2,1H3,(H,25,28)
InChIKeySZBBSASXOUCUQX-UHFFFAOYSA-N
XLogP2.72
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
CID 15677015
4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propoxy]-1,3-dihydroindol-2-one
CID 70434637
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
CID 19913805
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221
4-[(2S)-3-[[(3,4-dimethoxyphenyl)sulfonyl-piperidin-4-ylmethyl]amino]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
CID 70001615
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062
3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 54026505

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one (CID 70573175) is 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one is COc1ccccc1OCC1CCN(CC(O)COc2cccc3c2CC(=O)N3)CC1.
What is the InChIKey of 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one?
The InChIKey is SZBBSASXOUCUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-22-6-2-3-7-23(22)30-15-17-9-11-26(12-10-17)14-18(27)16-31-21-8-4-5-20-19(21)13-24(28)25-20/h2-8,17-18,27H,9-16H2,1H3,(H,25,28).
What are the key properties of 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one?
4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one has a molecular weight of 426.51 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 70573175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).