1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea

C20H24FN3O2 — CID 68759202

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea
SMILESO=C(NCc1ccc(O)cc1)N(Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C20H24FN3O2/c21-17-5-1-16(2-6-17)14-24(18-9-11-22-12-10-18)20(26)23-13-15-3-7-19(25)8-4-15/h1-8,18,22,25H,9-14H2,(H,23,26)
InChIKeyWWVMXJFORFECCF-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.00
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea

1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea (PubChem CID 68759202) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea
PubChem CID68759202
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea
SMILESO=C(NCc1ccc(O)cc1)N(Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C20H24FN3O2/c21-17-5-1-16(2-6-17)14-24(18-9-11-22-12-10-18)20(26)23-13-15-3-7-19(25)8-4-15/h1-8,18,22,25H,9-14H2,(H,23,26)
InChIKeyWWVMXJFORFECCF-UHFFFAOYSA-N
XLogP3.00
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 68778887
1-[(4-fluorophenyl)methyl]-3-[[3-hydroxy-4-(2-methylpropoxy)phenyl]methyl]-1-piperidin-4-ylurea
CID 155804667
methyl 3-[4-[[[(4-fluorophenyl)methyl-piperidin-4-ylcarbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46935344
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
1-[(4-fluoro-3-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 46935341
CID 174067264
CID 174067264
1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 156782429
1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 142021620
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 60583589
1-[(4-chloro-2-fluorophenyl)methyl]-1-piperidin-4-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea;2,2,2-trifluoroacetic acid
CID 162323862

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea (CID 68759202) is 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea is O=C(NCc1ccc(O)cc1)N(Cc1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea?
The InChIKey is WWVMXJFORFECCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-5-1-16(2-6-17)14-24(18-9-11-22-12-10-18)20(26)23-13-15-3-7-19(25)8-4-15/h1-8,18,22,25H,9-14H2,(H,23,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea?
1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea has a molecular weight of 357.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea is sourced from PubChem (CID 68759202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).