1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea

C18H26FN3O2 — CID 86826887

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
SMILESCC(COc1ccc(F)cc1)NC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(12-24-17-6-2-14(19)3-7-17)20-18(23)21-15-8-10-22(11-9-15)16-4-5-16/h2-3,6-7,13,15-16H,4-5,8-12H2,1H3,(H2,20,21,23)
InChIKeyJJKORTXWZOQPHQ-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.52
Rot. Bonds6

About 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea

1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea (PubChem CID 86826887) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
PubChem CID86826887
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
SMILESCC(COc1ccc(F)cc1)NC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(12-24-17-6-2-14(19)3-7-17)20-18(23)21-15-8-10-22(11-9-15)16-4-5-16/h2-3,6-7,13,15-16H,4-5,8-12H2,1H3,(H2,20,21,23)
InChIKeyJJKORTXWZOQPHQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 75441282
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
(5R)-N-[(2R)-1-(4-fluorophenoxy)propan-2-yl]-5-methyl-1,4-oxazepane-4-carboxamide
CID 97128552
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide
CID 86826839
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-(2-tert-butylsulfanylethyl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86884516

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea (CID 86826887) is 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea is CC(COc1ccc(F)cc1)NC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea?
The InChIKey is JJKORTXWZOQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(12-24-17-6-2-14(19)3-7-17)20-18(23)21-15-8-10-22(11-9-15)16-4-5-16/h2-3,6-7,13,15-16H,4-5,8-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea?
1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea has a molecular weight of 335.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea is sourced from PubChem (CID 86826887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).