1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea

C20H30F3N3O2 — CID 51129466

IUPAC1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea
SMILESCCN(CCC(F)(F)F)C(=O)NCC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C20H30F3N3O2/c1-3-25(14-11-20(21,22)23)19(27)24-15-17(26-12-7-4-8-13-26)16-9-5-6-10-18(16)28-2/h5-6,9-10,17H,3-4,7-8,11-15H2,1-2H3,(H,24,27)
InChIKeyTWHJATKTJMBGHN-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.21
Rot. Bonds8

About 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea

1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea (PubChem CID 51129466) has the molecular formula C20H30F3N3O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea
PubChem CID51129466
Molecular FormulaC20H30F3N3O2
Molecular Weight401.47 g/mol
Exact Mass401.23
IUPAC Name1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea
SMILESCCN(CCC(F)(F)F)C(=O)NCC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C20H30F3N3O2/c1-3-25(14-11-20(21,22)23)19(27)24-15-17(26-12-7-4-8-13-26)16-9-5-6-10-18(16)28-2/h5-6,9-10,17H,3-4,7-8,11-15H2,1-2H3,(H,24,27)
InChIKeyTWHJATKTJMBGHN-UHFFFAOYSA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 86916292
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
ethyl 4-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164208
2-[[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500997
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
1-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-N',1-N'-dimethylcyclopropane-1,1-dicarboxamide
CID 100728103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea (CID 51129466) is 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea is CCN(CCC(F)(F)F)C(=O)NCC(c1ccccc1OC)N1CCCCC1.
What is the InChIKey of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is TWHJATKTJMBGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O2/c1-3-25(14-11-20(21,22)23)19(27)24-15-17(26-12-7-4-8-13-26)16-9-5-6-10-18(16)28-2/h5-6,9-10,17H,3-4,7-8,11-15H2,1-2H3,(H,24,27).
What are the key properties of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea?
1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 401.47 g/mol, XLogP of 4.21, 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-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 51129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).