1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea

C16H24FN3O2 — CID 110922120

IUPAC1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
SMILESCCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C16H24FN3O2/c1-3-19(2)16(22)18-11-12-4-5-15(14(17)10-12)20-8-6-13(21)7-9-20/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,18,22)
InChIKeySKGIWDNFUWTQOL-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.95
Rot. Bonds4

About 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea

1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea (PubChem CID 110922120) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
PubChem CID110922120
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
SMILESCCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C16H24FN3O2/c1-3-19(2)16(22)18-11-12-4-5-15(14(17)10-12)20-8-6-13(21)7-9-20/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,18,22)
InChIKeySKGIWDNFUWTQOL-UHFFFAOYSA-N
XLogP1.95
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea 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-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
CID 86880649
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 87036335
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-pent-3-enylurea
CID 111336700
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 111458172
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-nitrocyclopropane-1-carboxamide
CID 71886355
3-benzyl-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1,1-dimethylguanidine
CID 111068451
1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
CID 47625369
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea?
The IUPAC name of 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea (CID 110922120) is 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea?
The canonical SMILES for 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea is CCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea?
The InChIKey is SKGIWDNFUWTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-3-19(2)16(22)18-11-12-4-5-15(14(17)10-12)20-8-6-13(21)7-9-20/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,18,22).
What are the key properties of 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea?
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea has a molecular weight of 309.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 110922120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).