3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C29H35N3O3 — CID 58188232

IUPAC3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCOC1CCN(CC(O)c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C29H35N3O3/c1-20-4-8-23(9-5-20)24-14-25(28(33)19-32-12-10-27(35-3)11-13-32)16-26(15-24)29(34)31-18-22-7-6-21(2)30-17-22/h4-9,14-17,27-28,33H,10-13,18-19H2,1-3H3,(H,31,34)
InChIKeyMVRITPXTBHBOEV-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.44
Rot. Bonds8

About 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 58188232) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID58188232
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCOC1CCN(CC(O)c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C29H35N3O3/c1-20-4-8-23(9-5-20)24-14-25(28(33)19-32-12-10-27(35-3)11-13-32)16-26(15-24)29(34)31-18-22-7-6-21(2)30-17-22/h4-9,14-17,27-28,33H,10-13,18-19H2,1-3H3,(H,31,34)
InChIKeyMVRITPXTBHBOEV-UHFFFAOYSA-N
XLogP4.44
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 58188232) is 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is COC1CCN(CC(O)c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(C)cc3)c2)CC1.
What is the InChIKey of 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is MVRITPXTBHBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-20-4-8-23(9-5-20)24-14-25(28(33)19-32-12-10-27(35-3)11-13-32)16-26(15-24)29(34)31-18-22-7-6-21(2)30-17-22/h4-9,14-17,27-28,33H,10-13,18-19H2,1-3H3,(H,31,34).
What are the key properties of 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-(4-methoxypiperidin-1-yl)ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58188232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).