1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea

C19H27N3OS — CID 86999613

IUPAC1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCC(C)N1CCC(NC(=O)NCCc2csc3ccccc23)CC1
InChIInChI=1S/C19H27N3OS/c1-14(2)22-11-8-16(9-12-22)21-19(23)20-10-7-15-13-24-18-6-4-3-5-17(15)18/h3-6,13-14,16H,7-12H2,1-2H3,(H2,20,21,23)
InChIKeyZAHNJFYSMROWBE-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.62
Rot. Bonds5

About 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea

1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 86999613) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID86999613
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCC(C)N1CCC(NC(=O)NCCc2csc3ccccc23)CC1
InChIInChI=1S/C19H27N3OS/c1-14(2)22-11-8-16(9-12-22)21-19(23)20-10-7-15-13-24-18-6-4-3-5-17(15)18/h3-6,13-14,16H,7-12H2,1-2H3,(H2,20,21,23)
InChIKeyZAHNJFYSMROWBE-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71969146
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 112834711
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97061097
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 112836932
(3S)-N-[2-(1-benzothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 96569224
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 154834545
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 86999613) is 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea is CC(C)N1CCC(NC(=O)NCCc2csc3ccccc23)CC1.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is ZAHNJFYSMROWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-14(2)22-11-8-16(9-12-22)21-19(23)20-10-7-15-13-24-18-6-4-3-5-17(15)18/h3-6,13-14,16H,7-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 345.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 86999613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).