(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol

C18H26N2O2S — CID 51984825

IUPAC(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol
SMILESCCN1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1
InChIInChI=1S/C18H26N2O2S/c1-2-19-9-5-8-18(21,14-19)15-20(12-16-6-3-10-22-16)13-17-7-4-11-23-17/h3-4,6-7,10-11,21H,2,5,8-9,12-15H2,1H3/t18-/m1/s1
InChIKeyIIDAWUUMUFXJQS-GOSISDBHSA-N
MW334.48 g/mol
LogP3.19
Rot. Bonds7

About (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol

(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol (PubChem CID 51984825) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol
PubChem CID51984825
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol
SMILESCCN1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1
InChIInChI=1S/C18H26N2O2S/c1-2-19-9-5-8-18(21,14-19)15-20(12-16-6-3-10-22-16)13-17-7-4-11-23-17/h3-4,6-7,10-11,21H,2,5,8-9,12-15H2,1H3/t18-/m1/s1
InChIKeyIIDAWUUMUFXJQS-GOSISDBHSA-N
XLogP3.19
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol with MolForge

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Related Compounds

3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
CID 56728327
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 26513187
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 18087104
N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678198
methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807455
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol (CID 51984825) is (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol is CCN1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1.
What is the InChIKey of (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol?
The InChIKey is IIDAWUUMUFXJQS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-2-19-9-5-8-18(21,14-19)15-20(12-16-6-3-10-22-16)13-17-7-4-11-23-17/h3-4,6-7,10-11,21H,2,5,8-9,12-15H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol?
(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol has a molecular weight of 334.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol is sourced from PubChem (CID 51984825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).