3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea

C24H27FN4OS — CID 24732177

IUPAC3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
SMILESO=C(Nc1cccc(F)c1)N(Cc1cccnc1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H27FN4OS/c25-20-5-1-6-21(16-20)27-24(30)29(18-19-4-2-11-26-17-19)22-8-12-28(13-9-22)14-10-23-7-3-15-31-23/h1-7,11,15-17,22H,8-10,12-14,18H2,(H,27,30)
InChIKeyCQIXLZBMXQZWNB-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.02
Rot. Bonds7

About 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea

3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea (PubChem CID 24732177) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
PubChem CID24732177
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC Name3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
SMILESO=C(Nc1cccc(F)c1)N(Cc1cccnc1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H27FN4OS/c25-20-5-1-6-21(16-20)27-24(30)29(18-19-4-2-11-26-17-19)22-8-12-28(13-9-22)14-10-23-7-3-15-31-23/h1-7,11,15-17,22H,8-10,12-14,18H2,(H,27,30)
InChIKeyCQIXLZBMXQZWNB-UHFFFAOYSA-N
XLogP5.02
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)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-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703390
1-(pyridin-3-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121085047
1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56584064
3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CID 24732225
N-benzyl-2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060058
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
1-[(3-fluoro-5-methylphenyl)methyl]-3-(3-methylphenyl)-1-(1-propylpiperidin-4-yl)urea
CID 159712836
2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4178470
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 24732095
1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732159

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea (CID 24732177) is 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea is O=C(Nc1cccc(F)c1)N(Cc1cccnc1)C1CCN(CCc2cccs2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
The InChIKey is CQIXLZBMXQZWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c25-20-5-1-6-21(16-20)27-24(30)29(18-19-4-2-11-26-17-19)22-8-12-28(13-9-22)14-10-23-7-3-15-31-23/h1-7,11,15-17,22H,8-10,12-14,18H2,(H,27,30).
What are the key properties of 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea has a molecular weight of 438.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 24732177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).