N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide

C22H36N2O3S — CID 45201215

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C22H36N2O3S/c1-26-15-13-23-11-9-19(10-12-23)17-24(18-20-5-3-14-27-20)22(25)8-2-6-21-7-4-16-28-21/h4,7,16,19-20H,2-3,5-6,8-15,17-18H2,1H3
InChIKeyZTFKWGDZHMNZTK-UHFFFAOYSA-N
MW408.61 g/mol
LogP3.44
Rot. Bonds11

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide (PubChem CID 45201215) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
PubChem CID45201215
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C22H36N2O3S/c1-26-15-13-23-11-9-19(10-12-23)17-24(18-20-5-3-14-27-20)22(25)8-2-6-21-7-4-16-28-21/h4,7,16,19-20H,2-3,5-6,8-15,17-18H2,1H3
InChIKeyZTFKWGDZHMNZTK-UHFFFAOYSA-N
XLogP3.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 29209581
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42286362
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
1-[3-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]ethanone
CID 42242104
N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 112823627
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55389254

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide (CID 45201215) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide is COCCN1CCC(CN(CC2CCCO2)C(=O)CCCc2cccs2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is ZTFKWGDZHMNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c1-26-15-13-23-11-9-19(10-12-23)17-24(18-20-5-3-14-27-20)22(25)8-2-6-21-7-4-16-28-21/h4,7,16,19-20H,2-3,5-6,8-15,17-18H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 408.61 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 45201215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).