2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

C17H27N3O3 — CID 120889693

IUPAC2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCC1(CNC(=O)CNc2ccccc2OC)CCNCC1
InChIInChI=1S/C17H27N3O3/c1-22-13-17(7-9-18-10-8-17)12-20-16(21)11-19-14-5-3-4-6-15(14)23-2/h3-6,18-19H,7-13H2,1-2H3,(H,20,21)
InChIKeyKPUCBZCFJJVELE-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.24
Rot. Bonds8

About 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 120889693) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
PubChem CID120889693
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCC1(CNC(=O)CNc2ccccc2OC)CCNCC1
InChIInChI=1S/C17H27N3O3/c1-22-13-17(7-9-18-10-8-17)12-20-16(21)11-19-14-5-3-4-6-15(14)23-2/h3-6,18-19H,7-13H2,1-2H3,(H,20,21)
InChIKeyKPUCBZCFJJVELE-UHFFFAOYSA-N
XLogP1.24
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (CID 120889693) is 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is COCC1(CNC(=O)CNc2ccccc2OC)CCNCC1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is KPUCBZCFJJVELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-22-13-17(7-9-18-10-8-17)12-20-16(21)11-19-14-5-3-4-6-15(14)23-2/h3-6,18-19H,7-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 120889693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).