2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide

C20H25N3O2 — CID 51093870

IUPAC2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cccnc2N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-9-7-16(8-10-18)14-19(24)22-15-17-6-5-11-21-20(17)23-12-3-2-4-13-23/h5-11H,2-4,12-15H2,1H3,(H,22,24)
InChIKeyUWZQTPZVUCLJOJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide

2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 51093870) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID51093870
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cccnc2N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-9-7-16(8-10-18)14-19(24)22-15-17-6-5-11-21-20(17)23-12-3-2-4-13-23/h5-11H,2-4,12-15H2,1H3,(H,22,24)
InChIKeyUWZQTPZVUCLJOJ-UHFFFAOYSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide (CID 51093870) is 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide is COc1ccc(CC(=O)NCc2cccnc2N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is UWZQTPZVUCLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-9-7-16(8-10-18)14-19(24)22-15-17-6-5-11-21-20(17)23-12-3-2-4-13-23/h5-11H,2-4,12-15H2,1H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 51093870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).