methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate

C18H26N2O5 — CID 56890831

IUPACmethyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(C(=O)N2CCCC(O)(CN(C)C)C2)c1
InChIInChI=1S/C18H26N2O5/c1-19(2)11-18(23)6-5-7-20(12-18)16(21)13-8-14(17(22)25-4)10-15(9-13)24-3/h8-10,23H,5-7,11-12H2,1-4H3
InChIKeyNZOXQALYKPZRQI-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.01
Rot. Bonds5

About methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate

methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate (PubChem CID 56890831) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
PubChem CID56890831
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(C(=O)N2CCCC(O)(CN(C)C)C2)c1
InChIInChI=1S/C18H26N2O5/c1-19(2)11-18(23)6-5-7-20(12-18)16(21)13-8-14(17(22)25-4)10-15(9-13)24-3/h8-10,23H,5-7,11-12H2,1-4H3
InChIKeyNZOXQALYKPZRQI-UHFFFAOYSA-N
XLogP1.01
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95720301
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
3-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]phenyl]benzonitrile
CID 126450683
2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 167869171
methyl 3-methoxy-5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)benzoate
CID 162637455
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
CID 86286647
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[3-(4-methoxy-3,5-dimethylphenyl)phenyl]methanone
CID 118782589
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate?
The IUPAC name of methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate (CID 56890831) is methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate.
What is the SMILES notation for methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate?
The canonical SMILES for methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate is COC(=O)c1cc(OC)cc(C(=O)N2CCCC(O)(CN(C)C)C2)c1.
What is the InChIKey of methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate?
The InChIKey is NZOXQALYKPZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-19(2)11-18(23)6-5-7-20(12-18)16(21)13-8-14(17(22)25-4)10-15(9-13)24-3/h8-10,23H,5-7,11-12H2,1-4H3.
What are the key properties of methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate?
methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate has a molecular weight of 350.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate is sourced from PubChem (CID 56890831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).