1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea

C18H26FN3O3 — CID 52532707

IUPAC1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H26FN3O3/c1-12(2)17(24)22-8-6-15(7-9-22)21-18(25)20-11-16(23)13-4-3-5-14(19)10-13/h3-5,10,12,15-16,23H,6-9,11H2,1-2H3,(H2,20,21,25)/t16-/m0/s1
InChIKeyVVKXIZKHGPZGRM-INIZCTEOSA-N
MW351.42 g/mol
LogP1.81
Rot. Bonds5

About 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea

1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea (PubChem CID 52532707) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
PubChem CID52532707
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H26FN3O3/c1-12(2)17(24)22-8-6-15(7-9-22)21-18(25)20-11-16(23)13-4-3-5-14(19)10-13/h3-5,10,12,15-16,23H,6-9,11H2,1-2H3,(H2,20,21,25)/t16-/m0/s1
InChIKeyVVKXIZKHGPZGRM-INIZCTEOSA-N
XLogP1.81
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97206238
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 55738527

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea (CID 52532707) is 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea is CC(C)C(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The InChIKey is VVKXIZKHGPZGRM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-12(2)17(24)22-8-6-15(7-9-22)21-18(25)20-11-16(23)13-4-3-5-14(19)10-13/h3-5,10,12,15-16,23H,6-9,11H2,1-2H3,(H2,20,21,25)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea has a molecular weight of 351.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 52532707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).