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

C21H25F2N3O — CID 22966157

IUPAC1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea
SMILESO=C(NCC[C@@H]1CC[C@@H](Cc2ccc(F)cc2)CN1)Nc1ccc(F)cc1
InChIInChI=1S/C21H25F2N3O/c22-17-4-1-15(2-5-17)13-16-3-8-19(25-14-16)11-12-24-21(27)26-20-9-6-18(23)7-10-20/h1-2,4-7,9-10,16,19,25H,3,8,11-14H2,(H2,24,26,27)/t16-,19-/m0/s1
InChIKeyRSPXJWRQUHPEKK-LPHOPBHVSA-N
MW373.45 g/mol
LogP4.09
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea (PubChem CID 22966157) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea
PubChem CID22966157
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea
SMILESO=C(NCC[C@@H]1CC[C@@H](Cc2ccc(F)cc2)CN1)Nc1ccc(F)cc1
InChIInChI=1S/C21H25F2N3O/c22-17-4-1-15(2-5-17)13-16-3-8-19(25-14-16)11-12-24-21(27)26-20-9-6-18(23)7-10-20/h1-2,4-7,9-10,16,19,25H,3,8,11-14H2,(H2,24,26,27)/t16-,19-/m0/s1
InChIKeyRSPXJWRQUHPEKK-LPHOPBHVSA-N
XLogP4.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
CID 22966109
2-(5-benzylpiperidin-2-yl)ethylurea
CID 142001060
ethyl 3-[[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methylcarbamoylamino]benzoate
CID 22966132
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
CID 24703297
1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 23497310
1-(4-fluorophenyl)-3-[3-[(1R,4S,6S)-6-[(4-fluorophenyl)methyl]-2-azabicyclo[2.2.2]octan-2-yl]propyl]urea
CID 68826558
1-(3-cyclopropyl-3-hydroxypropyl)-3-(4-fluorophenyl)urea
CID 71787548
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393448

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea (CID 22966157) is 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea is O=C(NCC[C@@H]1CC[C@@H](Cc2ccc(F)cc2)CN1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea?
The InChIKey is RSPXJWRQUHPEKK-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H25F2N3O/c22-17-4-1-15(2-5-17)13-16-3-8-19(25-14-16)11-12-24-21(27)26-20-9-6-18(23)7-10-20/h1-2,4-7,9-10,16,19,25H,3,8,11-14H2,(H2,24,26,27)/t16-,19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea?
1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea has a molecular weight of 373.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[(2S,5S)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl]urea is sourced from PubChem (CID 22966157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).