1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C17H29N3O2S — CID 111440902

IUPAC1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC(C)(O)c2cccs2)CC1
InChIInChI=1S/C17H29N3O2S/c1-13(2)11-20-8-6-14(7-9-20)19-16(21)18-12-17(3,22)15-5-4-10-23-15/h4-5,10,13-14,22H,6-9,11-12H2,1-3H3,(H2,18,19,21)
InChIKeyXWDALZBMCLVIOH-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.38
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 111440902) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID111440902
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC(C)(O)c2cccs2)CC1
InChIInChI=1S/C17H29N3O2S/c1-13(2)11-20-8-6-14(7-9-20)19-16(21)18-12-17(3,22)15-5-4-10-23-15/h4-5,10,13-14,22H,6-9,11-12H2,1-3H3,(H2,18,19,21)
InChIKeyXWDALZBMCLVIOH-UHFFFAOYSA-N
XLogP2.38
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-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-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111458023
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 111440902) is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea is CC(C)CN1CCC(NC(=O)NCC(C)(O)c2cccs2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is XWDALZBMCLVIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-13(2)11-20-8-6-14(7-9-20)19-16(21)18-12-17(3,22)15-5-4-10-23-15/h4-5,10,13-14,22H,6-9,11-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 339.51 g/mol, XLogP of 2.38, 6 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-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 111440902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).