1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea

C21H23N3OS — CID 2813504

IUPAC1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
SMILESO=C(Nc1csc2ccccc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3OS/c25-21(23-19-15-26-20-9-5-4-8-18(19)20)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H2,22,23,25)
InChIKeySSIWESSMTNRQRI-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.69
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea

1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea (PubChem CID 2813504) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
PubChem CID2813504
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
SMILESO=C(Nc1csc2ccccc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3OS/c25-21(23-19-15-26-20-9-5-4-8-18(19)20)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H2,22,23,25)
InChIKeySSIWESSMTNRQRI-UHFFFAOYSA-N
XLogP4.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)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

1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea (CID 2813504) is 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea is O=C(Nc1csc2ccccc12)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea?
The InChIKey is SSIWESSMTNRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-21(23-19-15-26-20-9-5-4-8-18(19)20)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2,(H2,22,23,25).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea?
1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea has a molecular weight of 365.50 g/mol, XLogP of 4.69, 4 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-benzylpiperidin-4-yl)urea is sourced from PubChem (CID 2813504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).