1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea

C14H23N3OS — CID 59684905

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCN1CCC(N(C)C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-16-9-6-12(7-10-16)17(2)14(18)15-8-5-13-4-3-11-19-13/h3-4,11-12H,5-10H2,1-2H3,(H,15,18)
InChIKeyRUJWYLCDMCYPGD-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.03
Rot. Bonds4

About 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea

1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 59684905) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID59684905
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCN1CCC(N(C)C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-16-9-6-12(7-10-16)17(2)14(18)15-8-5-13-4-3-11-19-13/h3-4,11-12H,5-10H2,1-2H3,(H,15,18)
InChIKeyRUJWYLCDMCYPGD-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115178054
(3R,4aR,8aS)-6-methyl-N-(2-thiophen-2-ylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366438
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111752633
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
1-methyl-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]-1-(thiophen-2-ylmethyl)urea
CID 126439177
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
N,N-dimethyl-2-[[pyrrolidin-1-yl-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111492931
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide
CID 75394034
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea (CID 59684905) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea is CN1CCC(N(C)C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is RUJWYLCDMCYPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-16-9-6-12(7-10-16)17(2)14(18)15-8-5-13-4-3-11-19-13/h3-4,11-12H,5-10H2,1-2H3,(H,15,18).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 281.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 59684905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).