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

C22H33N5O3 — CID 25451247

IUPAC(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H](C)n1cncn1
InChIInChI=1S/C22H33N5O3/c1-18(27-17-23-16-24-27)22(28)26(12-13-29-2)14-19-8-10-25(11-9-19)15-20-6-4-5-7-21(20)30-3/h4-7,16-19H,8-15H2,1-3H3/t18-/m0/s1
InChIKeySSHDAMTXEMLYAW-SFHVURJKSA-N
MW415.54 g/mol
LogP2.23
Rot. Bonds10

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

(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 25451247) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID25451247
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H](C)n1cncn1
InChIInChI=1S/C22H33N5O3/c1-18(27-17-23-16-24-27)22(28)26(12-13-29-2)14-19-8-10-25(11-9-19)15-20-6-4-5-7-21(20)30-3/h4-7,16-19H,8-15H2,1-3H3/t18-/m0/s1
InChIKeySSHDAMTXEMLYAW-SFHVURJKSA-N
XLogP2.23
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26390566
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-(2-oxopyrrolidin-1-yl)propanamide
CID 45174942
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-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
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]spiro[2.3]hexane-2-carboxamide
CID 42122512
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72865460
(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
CID 42199295
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 42522390
2-(2-chlorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42592902

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 25451247) is (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H](C)n1cncn1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SSHDAMTXEMLYAW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-18(27-17-23-16-24-27)22(28)26(12-13-29-2)14-19-8-10-25(11-9-19)15-20-6-4-5-7-21(20)30-3/h4-7,16-19H,8-15H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 415.54 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 25451247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).