1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea

C18H26FN3O2 — CID 138998311

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1CCCOC1
InChIInChI=1S/C18H26FN3O2/c19-15-5-3-14(4-6-15)12-22-9-7-16(8-10-22)20-18(23)21-17-2-1-11-24-13-17/h3-6,16-17H,1-2,7-13H2,(H2,20,21,23)
InChIKeySXBMUYRAHBZYSK-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.27
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea (PubChem CID 138998311) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
PubChem CID138998311
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1CCCOC1
InChIInChI=1S/C18H26FN3O2/c19-15-5-3-14(4-6-15)12-22-9-7-16(8-10-22)20-18(23)21-17-2-1-11-24-13-17/h3-6,16-17H,1-2,7-13H2,(H2,20,21,23)
InChIKeySXBMUYRAHBZYSK-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 95930533
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 60543938
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-[4-[[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]phenyl]-3-(oxan-3-yl)urea
CID 88876232
3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
CID 75373599
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea (CID 138998311) is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1CCCOC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea?
The InChIKey is SXBMUYRAHBZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-5-3-14(4-6-15)12-22-9-7-16(8-10-22)20-18(23)21-17-2-1-11-24-13-17/h3-6,16-17H,1-2,7-13H2,(H2,20,21,23).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea?
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea has a molecular weight of 335.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea is sourced from PubChem (CID 138998311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).