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

C21H31N5O3 — CID 26390566

IUPACN-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)Cn1cncn1
InChIInChI=1S/C21H31N5O3/c1-28-12-11-25(21(27)15-26-17-22-16-23-26)13-18-7-9-24(10-8-18)14-19-5-3-4-6-20(19)29-2/h3-6,16-18H,7-15H2,1-2H3
InChIKeyIFWMYALNYWDZQE-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.67
Rot. Bonds10

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

N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 26390566) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID26390566
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)Cn1cncn1
InChIInChI=1S/C21H31N5O3/c1-28-12-11-25(21(27)15-26-17-22-16-23-26)13-18-7-9-24(10-8-18)14-19-5-3-4-6-20(19)29-2/h3-6,16-18H,7-15H2,1-2H3
InChIKeyIFWMYALNYWDZQE-UHFFFAOYSA-N
XLogP1.67
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 25451247
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
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 25384935
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
(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
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-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 42357318
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 42522390

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 26390566) is N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)Cn1cncn1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is IFWMYALNYWDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-28-12-11-25(21(27)15-26-17-22-16-23-26)13-18-7-9-24(10-8-18)14-19-5-3-4-6-20(19)29-2/h3-6,16-18H,7-15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 1.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 26390566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).