1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea

C14H23N3O2S — CID 111453966

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCC(C)(O)c2ccsc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-14(19,11-5-8-20-9-11)10-15-13(18)16-12-3-6-17(2)7-4-12/h5,8-9,12,19H,3-4,6-7,10H2,1-2H3,(H2,15,16,18)
InChIKeyGAEGLBFKKDMCIR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 111453966) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID111453966
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCC(C)(O)c2ccsc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-14(19,11-5-8-20-9-11)10-15-13(18)16-12-3-6-17(2)7-4-12/h5,8-9,12,19H,3-4,6-7,10H2,1-2H3,(H2,15,16,18)
InChIKeyGAEGLBFKKDMCIR-UHFFFAOYSA-N
XLogP1.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111508204
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 98787633
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
CID 111720032
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
CID 111509560
1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea
CID 110309093
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea (CID 111453966) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NCC(C)(O)c2ccsc2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is GAEGLBFKKDMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(19,11-5-8-20-9-11)10-15-13(18)16-12-3-6-17(2)7-4-12/h5,8-9,12,19H,3-4,6-7,10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 297.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 111453966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).