1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea

C25H32FN3O3 — CID 71908791

IUPAC1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea
SMILESO=C(NCC1CCCN(Cc2ccc(OCC3CCCO3)cc2)C1)Nc1cccc(F)c1
InChIInChI=1S/C25H32FN3O3/c26-21-5-1-6-22(14-21)28-25(30)27-15-20-4-2-12-29(17-20)16-19-8-10-23(11-9-19)32-18-24-7-3-13-31-24/h1,5-6,8-11,14,20,24H,2-4,7,12-13,15-18H2,(H2,27,28,30)
InChIKeyBYCCIOMJJFAVHW-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.42
Rot. Bonds8

About 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea

1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea (PubChem CID 71908791) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea
PubChem CID71908791
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Name1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea
SMILESO=C(NCC1CCCN(Cc2ccc(OCC3CCCO3)cc2)C1)Nc1cccc(F)c1
InChIInChI=1S/C25H32FN3O3/c26-21-5-1-6-22(14-21)28-25(30)27-15-20-4-2-12-29(17-20)16-19-8-10-23(11-9-19)32-18-24-7-3-13-31-24/h1,5-6,8-11,14,20,24H,2-4,7,12-13,15-18H2,(H2,27,28,30)
InChIKeyBYCCIOMJJFAVHW-UHFFFAOYSA-N
XLogP4.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-(3-fluorophenyl)-3-[[(3S)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859538
1-(3-fluorophenyl)-3-[[(3R)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859539
1-(3-fluorophenyl)-3-[[1-[2-(2-phenoxyethoxy)ethyl]piperidin-3-yl]methyl]urea
CID 86904453
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
CID 95249817
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728663
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea (CID 71908791) is 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea is O=C(NCC1CCCN(Cc2ccc(OCC3CCCO3)cc2)C1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea?
The InChIKey is BYCCIOMJJFAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c26-21-5-1-6-22(14-21)28-25(30)27-15-20-4-2-12-29(17-20)16-19-8-10-23(11-9-19)32-18-24-7-3-13-31-24/h1,5-6,8-11,14,20,24H,2-4,7,12-13,15-18H2,(H2,27,28,30).
What are the key properties of 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea?
1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea has a molecular weight of 441.55 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 71908791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).