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

C23H30N2O3 — CID 23724055

IUPAC2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3OC)C2)cc1
InChIInChI=1S/C23H30N2O3/c1-27-21-11-9-18(10-12-21)14-23(26)24-15-19-6-5-13-25(16-19)17-20-7-3-4-8-22(20)28-2/h3-4,7-12,19H,5-6,13-17H2,1-2H3,(H,24,26)
InChIKeyKZZLWLRZDFNVNN-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.27
Rot. Bonds8

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

2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 23724055) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID23724055
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3OC)C2)cc1
InChIInChI=1S/C23H30N2O3/c1-27-21-11-9-18(10-12-21)14-23(26)24-15-19-6-5-13-25(16-19)17-20-7-3-4-8-22(20)28-2/h3-4,7-12,19H,5-6,13-17H2,1-2H3,(H,24,26)
InChIKeyKZZLWLRZDFNVNN-UHFFFAOYSA-N
XLogP3.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.27
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-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide (CID 23724055) is 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide is COc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3OC)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is KZZLWLRZDFNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-21-11-9-18(10-12-21)14-23(26)24-15-19-6-5-13-25(16-19)17-20-7-3-4-8-22(20)28-2/h3-4,7-12,19H,5-6,13-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 23724055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).