methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate

C19H28N2O6 — CID 55476652

IUPACmethyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate
SMILESCNC(=O)C1CCN(CC(O)COc2ccc(C(=O)OC)cc2OC)CC1
InChIInChI=1S/C19H28N2O6/c1-20-18(23)13-6-8-21(9-7-13)11-15(22)12-27-16-5-4-14(19(24)26-3)10-17(16)25-2/h4-5,10,13,15,22H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyDACZTQFRDFKBHK-UHFFFAOYSA-N
MW380.44 g/mol
LogP0.68
Rot. Bonds8

About methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate

methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate (PubChem CID 55476652) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate
PubChem CID55476652
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Namemethyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate
SMILESCNC(=O)C1CCN(CC(O)COc2ccc(C(=O)OC)cc2OC)CC1
InChIInChI=1S/C19H28N2O6/c1-20-18(23)13-6-8-21(9-7-13)11-15(22)12-27-16-5-4-14(19(24)26-3)10-17(16)25-2/h4-5,10,13,15,22H,6-9,11-12H2,1-3H3,(H,20,23)
InChIKeyDACZTQFRDFKBHK-UHFFFAOYSA-N
XLogP0.68
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 7247975
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013
1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 17472543
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007
1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 991632
1-[4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 7304754
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate?
The IUPAC name of methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate (CID 55476652) is methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate is CNC(=O)C1CCN(CC(O)COc2ccc(C(=O)OC)cc2OC)CC1.
What is the InChIKey of methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate?
The InChIKey is DACZTQFRDFKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-20-18(23)13-6-8-21(9-7-13)11-15(22)12-27-16-5-4-14(19(24)26-3)10-17(16)25-2/h4-5,10,13,15,22H,6-9,11-12H2,1-3H3,(H,20,23).
What are the key properties of methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate?
methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate has a molecular weight of 380.44 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-hydroxy-3-[4-(methylcarbamoyl)piperidin-1-yl]propoxy]-3-methoxybenzoate is sourced from PubChem (CID 55476652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).