1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea

C24H32FN3O2 — CID 45240318

IUPAC1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea
SMILESCCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H32FN3O2/c1-3-28(24(29)26-23-12-5-4-11-22(23)25)18-20-9-7-14-27(17-20)15-13-19-8-6-10-21(16-19)30-2/h4-6,8,10-12,16,20H,3,7,9,13-15,17-18H2,1-2H3,(H,26,29)
InChIKeyIMTXCDOAOULUOT-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.64
Rot. Bonds8

About 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea

1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea (PubChem CID 45240318) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea
PubChem CID45240318
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea
SMILESCCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H32FN3O2/c1-3-28(24(29)26-23-12-5-4-11-22(23)25)18-20-9-7-14-27(17-20)15-13-19-8-6-10-21(16-19)30-2/h4-6,8,10-12,16,20H,3,7,9,13-15,17-18H2,1-2H3,(H,26,29)
InChIKeyIMTXCDOAOULUOT-UHFFFAOYSA-N
XLogP4.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 45234537
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea (CID 45240318) is 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea is CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea?
The InChIKey is IMTXCDOAOULUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-3-28(24(29)26-23-12-5-4-11-22(23)25)18-20-9-7-14-27(17-20)15-13-19-8-6-10-21(16-19)30-2/h4-6,8,10-12,16,20H,3,7,9,13-15,17-18H2,1-2H3,(H,26,29).
What are the key properties of 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea?
1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea has a molecular weight of 413.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 45240318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).