1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea

C16H27N3O2S — CID 125436200

IUPAC1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)s1)C(=O)N[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H27N3O2S/c1-13-6-7-15(22-13)12-19(9-10-21-3)16(20)17-14-5-4-8-18(2)11-14/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20)/t14-/m1/s1
InChIKeyHUURNQLOKFNKRO-CQSZACIVSA-N
MW325.48 g/mol
LogP2.31
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea

1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 125436200) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID125436200
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)s1)C(=O)N[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H27N3O2S/c1-13-6-7-15(22-13)12-19(9-10-21-3)16(20)17-14-5-4-8-18(2)11-14/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20)/t14-/m1/s1
InChIKeyHUURNQLOKFNKRO-CQSZACIVSA-N
XLogP2.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea 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

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
N-cyclopentyl-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 665523
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
N~1~-butyl-N~2~-{[(3-morpholin-4-ylpropyl)(thien-2-ylmethyl)amino]carbonothioyl}glycinamide
CID 12005419
N-cyclopentyl-2-[[3-morpholinopropyl(2-thenyl)thiocarbamoyl]amino]acetamide
CID 16193095
N-[2-(Dimethylamino)ethyl]-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 16193352
N-[3-(Diethylamino)propyl]-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 16193384
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 20866332

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea (CID 125436200) is 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea is COCCN(Cc1ccc(C)s1)C(=O)N[C@@H]1CCCN(C)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is HUURNQLOKFNKRO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13-6-7-15(22-13)12-19(9-10-21-3)16(20)17-14-5-4-8-18(2)11-14/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20)/t14-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?
1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 325.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 125436200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).