1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea

C22H26FN3O3 — CID 60545716

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCC1CCN(C(=O)c2ccc(NC(=O)NCC(O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C22H26FN3O3/c1-15-10-12-26(13-11-15)21(28)16-6-8-17(9-7-16)25-22(29)24-14-20(27)18-4-2-3-5-19(18)23/h2-9,15,20,27H,10-14H2,1H3,(H2,24,25,29)
InChIKeyUVQUYCSSOPZGDU-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea (PubChem CID 60545716) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
PubChem CID60545716
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCC1CCN(C(=O)c2ccc(NC(=O)NCC(O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C22H26FN3O3/c1-15-10-12-26(13-11-15)21(28)16-6-8-17(9-7-16)25-22(29)24-14-20(27)18-4-2-3-5-19(18)23/h2-9,15,20,27H,10-14H2,1H3,(H2,24,25,29)
InChIKeyUVQUYCSSOPZGDU-UHFFFAOYSA-N
XLogP3.55
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea (CID 60545716) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea is CC1CCN(C(=O)c2ccc(NC(=O)NCC(O)c3ccccc3F)cc2)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The InChIKey is UVQUYCSSOPZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-15-10-12-26(13-11-15)21(28)16-6-8-17(9-7-16)25-22(29)24-14-20(27)18-4-2-3-5-19(18)23/h2-9,15,20,27H,10-14H2,1H3,(H2,24,25,29).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea has a molecular weight of 399.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 60545716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).