1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea

C16H21N3OS — CID 2816293

IUPAC1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)Nc2csc3ccccc23)CC1
InChIInChI=1S/C16H21N3OS/c1-19-8-6-12(7-9-19)10-17-16(20)18-14-11-21-15-5-3-2-4-13(14)15/h2-5,11-12H,6-10H2,1H3,(H2,17,18,20)
InChIKeySCOIJCLXSWVPGF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.36
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea

1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 2816293) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID2816293
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)Nc2csc3ccccc23)CC1
InChIInChI=1S/C16H21N3OS/c1-19-8-6-12(7-9-19)10-17-16(20)18-14-11-21-15-5-3-2-4-13(14)15/h2-5,11-12H,6-10H2,1H3,(H2,17,18,20)
InChIKeySCOIJCLXSWVPGF-UHFFFAOYSA-N
XLogP3.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

N-(1-Benzothiophen-3-yl)acetamide
CID 746770
1-p-Tolyl-3-(4-(4-(6-trifluoromethylbenzo(b)thien-3-yl)piperazin-1-yl)butyl)urea
CID 9891761
N-(1-benzothiophen-3-yl)-N'-phenylurea
CID 2813497
N-(1-benzothiophen-3-yl)-N'-[4-(dimethylamino)phenyl]urea
CID 2813498
N-(1-benzothiophen-3-yl)-N'-(2,4-difluorophenyl)urea
CID 2816287
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
4-methyl-N-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
CID 3484025
N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739405
1-(4-Propan-2-ylphenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 3217870
1-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-3-thiophen-2-ylurea
CID 3240500
3-(3-Methylbutyl)-1-phenyl-3-[1-(thiophen-2-YL)ethyl]urea
CID 4293943
1-[1-(1-Benzothiophen-2-yl)ethyl]-1-hydroxy-3-phenylurea
CID 10686566

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea (CID 2816293) is 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)Nc2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is SCOIJCLXSWVPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19-8-6-12(7-9-19)10-17-16(20)18-14-11-21-15-5-3-2-4-13(14)15/h2-5,11-12H,6-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 303.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 2816293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).