N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide

C21H32N2O3 — CID 42343578

IUPACN-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
SMILESC=CCC(=O)N(CCOC)CC1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-4-7-21(24)23(14-15-25-2)16-18-10-12-22(13-11-18)17-19-8-5-6-9-20(19)26-3/h4-6,8-9,18H,1,7,10-17H2,2-3H3
InChIKeyQEOJTBRMERRVRP-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.96
Rot. Bonds10

About N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide

N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide (PubChem CID 42343578) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
PubChem CID42343578
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
SMILESC=CCC(=O)N(CCOC)CC1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-4-7-21(24)23(14-15-25-2)16-18-10-12-22(13-11-18)17-19-8-5-6-9-20(19)26-3/h4-6,8-9,18H,1,7,10-17H2,2-3H3
InChIKeyQEOJTBRMERRVRP-UHFFFAOYSA-N
XLogP2.96
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
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
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-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 25386348
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)but-3-enamide
CID 45171410

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide (CID 42343578) is N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide is C=CCC(=O)N(CCOC)CC1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide?
The InChIKey is QEOJTBRMERRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-7-21(24)23(14-15-25-2)16-18-10-12-22(13-11-18)17-19-8-5-6-9-20(19)26-3/h4-6,8-9,18H,1,7,10-17H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide?
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide has a molecular weight of 360.50 g/mol, XLogP of 2.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide is sourced from PubChem (CID 42343578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).