1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea

C20H24FN3O2 — CID 86837879

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2/c21-16-9-7-15(8-10-16)19(25)14-22-20(26)23-17-5-4-6-18(13-17)24-11-2-1-3-12-24/h4-10,13,19,25H,1-3,11-12,14H2,(H2,22,23,26)
InChIKeyZNNSAECPAXQKMC-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea (PubChem CID 86837879) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
PubChem CID86837879
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2/c21-16-9-7-15(8-10-16)19(25)14-22-20(26)23-17-5-4-6-18(13-17)24-11-2-1-3-12-24/h4-10,13,19,25H,1-3,11-12,14H2,(H2,22,23,26)
InChIKeyZNNSAECPAXQKMC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837430
1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea
CID 162662588
1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
CID 61030478
1-[3-(ethylsulfanylmethyl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111475152
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95343785
1-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
CID 125164064
1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 55746140
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea (CID 86837879) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea is O=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
The InChIKey is ZNNSAECPAXQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-16-9-7-15(8-10-16)19(25)14-22-20(26)23-17-5-4-6-18(13-17)24-11-2-1-3-12-24/h4-10,13,19,25H,1-3,11-12,14H2,(H2,22,23,26).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea has a molecular weight of 357.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 86837879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).