N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide

C21H34N2O3S — CID 45216292

IUPACN-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ccc(C3CCCCO3)s2)CC1
InChIInChI=1S/C21H34N2O3S/c1-25-15-11-22-21(24)8-5-17-9-12-23(13-10-17)16-18-6-7-20(27-18)19-4-2-3-14-26-19/h6-7,17,19H,2-5,8-16H2,1H3,(H,22,24)
InChIKeyWXRCXUJDGOPTHG-UHFFFAOYSA-N
MW394.58 g/mol
LogP3.74
Rot. Bonds9

About N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide (PubChem CID 45216292) has the molecular formula C21H34N2O3S and a molecular weight of 394.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
PubChem CID45216292
Molecular FormulaC21H34N2O3S
Molecular Weight394.58 g/mol
Exact Mass394.23
IUPAC NameN-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ccc(C3CCCCO3)s2)CC1
InChIInChI=1S/C21H34N2O3S/c1-25-15-11-22-21(24)8-5-17-9-12-23(13-10-17)16-18-6-7-20(27-18)19-4-2-3-14-26-19/h6-7,17,19H,2-5,8-16H2,1H3,(H,22,24)
InChIKeyWXRCXUJDGOPTHG-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42567316
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 42513054
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
CID 26394300
3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25383579
1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 131907476
(3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95206919
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 86912545
3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25448651
[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine
CID 45227943

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide (CID 45216292) is N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(Cc2ccc(C3CCCCO3)s2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide?
The InChIKey is WXRCXUJDGOPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3S/c1-25-15-11-22-21(24)8-5-17-9-12-23(13-10-17)16-18-6-7-20(27-18)19-4-2-3-14-26-19/h6-7,17,19H,2-5,8-16H2,1H3,(H,22,24).
What are the key properties of N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide has a molecular weight of 394.58 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45216292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).