1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea

C20H23F2N3O — CID 22966109

IUPAC1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CC[C@H](Cc2ccc(F)cc2)CN1)Nc1cccc(F)c1
InChIInChI=1S/C20H23F2N3O/c21-16-7-4-14(5-8-16)10-15-6-9-19(23-12-15)13-24-20(26)25-18-3-1-2-17(22)11-18/h1-5,7-8,11,15,19,23H,6,9-10,12-13H2,(H2,24,25,26)/t15-,19+/m1/s1
InChIKeyXPJTZTOFHQAZOU-BEFAXECRSA-N
MW359.42 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea

1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea (PubChem CID 22966109) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
PubChem CID22966109
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CC[C@H](Cc2ccc(F)cc2)CN1)Nc1cccc(F)c1
InChIInChI=1S/C20H23F2N3O/c21-16-7-4-14(5-8-16)10-15-6-9-19(23-12-15)13-24-20(26)25-18-3-1-2-17(22)11-18/h1-5,7-8,11,15,19,23H,6,9-10,12-13H2,(H2,24,25,26)/t15-,19+/m1/s1
InChIKeyXPJTZTOFHQAZOU-BEFAXECRSA-N
XLogP3.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea with MolForge

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Related Compounds

ethyl 3-[[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methylcarbamoylamino]benzoate
CID 22966132
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 22966146
1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea
CID 22966157
ethyl 3-[[(2S,5S)-5-benzylpiperidin-2-yl]methylcarbamoylamino]benzoate
CID 22966133
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675
1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 23497310
1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
CID 82734312
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966138

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea (CID 22966109) is 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea is O=C(NC[C@@H]1CC[C@H](Cc2ccc(F)cc2)CN1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea?
The InChIKey is XPJTZTOFHQAZOU-BEFAXECRSA-N. The full InChI is InChI=1S/C20H23F2N3O/c21-16-7-4-14(5-8-16)10-15-6-9-19(23-12-15)13-24-20(26)25-18-3-1-2-17(22)11-18/h1-5,7-8,11,15,19,23H,6,9-10,12-13H2,(H2,24,25,26)/t15-,19+/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea?
1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea has a molecular weight of 359.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea is sourced from PubChem (CID 22966109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).