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

C21H33N3O4 — CID 25384935

IUPAC2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCOCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CNC(C)=O
InChIInChI=1S/C21H33N3O4/c1-17(25)22-14-21(26)24(12-13-27-2)15-18-8-10-23(11-9-18)16-19-6-4-5-7-20(19)28-3/h4-7,18H,8-16H2,1-3H3,(H,22,25)
InChIKeySJXSJXIRQHJKBY-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.52
Rot. Bonds10

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

2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 25384935) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID25384935
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCOCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CNC(C)=O
InChIInChI=1S/C21H33N3O4/c1-17(25)22-14-21(26)24(12-13-27-2)15-18-8-10-23(11-9-18)16-19-6-4-5-7-20(19)28-3/h4-7,18H,8-16H2,1-3H3,(H,22,25)
InChIKeySJXSJXIRQHJKBY-UHFFFAOYSA-N
XLogP1.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26390566
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]spiro[2.3]hexane-2-carboxamide
CID 42122512
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 45174942
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 25451247
2-(2-chlorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42592902
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 42512485
N-[(4,5-dimethylfuran-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 42212099
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72865460

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 25384935) is 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SJXSJXIRQHJKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-17(25)22-14-21(26)24(12-13-27-2)15-18-8-10-23(11-9-18)16-19-6-4-5-7-20(19)28-3/h4-7,18H,8-16H2,1-3H3,(H,22,25).
What are the key properties of 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 391.51 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 25384935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).