1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea

C16H24FN3O — CID 142021620

IUPAC1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCCN(C(=O)NCc1ccc(F)cc1)C1CCN(C)CC1
InChIInChI=1S/C16H24FN3O/c1-3-20(15-8-10-19(2)11-9-15)16(21)18-12-13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyPMBCRNBEGUSCHZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds4

About 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea

1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea (PubChem CID 142021620) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
PubChem CID142021620
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCCN(C(=O)NCc1ccc(F)cc1)C1CCN(C)CC1
InChIInChI=1S/C16H24FN3O/c1-3-20(15-8-10-19(2)11-9-15)16(21)18-12-13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyPMBCRNBEGUSCHZ-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 68778887
1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea
CID 142021505
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 53234558
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-[(4-fluoro-3-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 46935341
methyl 3-[4-[[[(4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46909551
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylbut-3-enoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 143567878
1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 156782429
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
but-2-enedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 66861998
(E)-but-2-enedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 66861997
1-[dideuterio-(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-[1-(trideuteriomethyl)piperidin-4-yl]urea
CID 25159373

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea (CID 142021620) is 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea is CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C)CC1.
What is the InChIKey of 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is PMBCRNBEGUSCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-20(15-8-10-19(2)11-9-15)16(21)18-12-13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea?
1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 293.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 142021620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).