1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea

C18H26FN3O2 — CID 109397854

IUPAC1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1
InChIInChI=1S/C18H26FN3O2/c1-18(7-2-8-18)21-17(24)20-12-13-3-4-16(15(19)11-13)22-9-5-14(23)6-10-22/h3-4,11,14,23H,2,5-10,12H2,1H3,(H2,20,21,24)
InChIKeyZOFPZDKRMQIIDE-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.53
Rot. Bonds4

About 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea

1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea (PubChem CID 109397854) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
PubChem CID109397854
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1
InChIInChI=1S/C18H26FN3O2/c1-18(7-2-8-18)21-17(24)20-12-13-3-4-16(15(19)11-13)22-9-5-14(23)6-10-22/h3-4,11,14,23H,2,5-10,12H2,1H3,(H2,20,21,24)
InChIKeyZOFPZDKRMQIIDE-UHFFFAOYSA-N
XLogP2.53
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-pent-3-enylurea
CID 111336700
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 87036335
N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
CID 86880649
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
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732
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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea?
The IUPAC name of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea (CID 109397854) is 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea.
What is the SMILES notation for 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea?
The canonical SMILES for 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea is CC1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1.
What is the InChIKey of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea?
The InChIKey is ZOFPZDKRMQIIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-18(7-2-8-18)21-17(24)20-12-13-3-4-16(15(19)11-13)22-9-5-14(23)6-10-22/h3-4,11,14,23H,2,5-10,12H2,1H3,(H2,20,21,24).
What are the key properties of 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea?
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea has a molecular weight of 335.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea is sourced from PubChem (CID 109397854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).