1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

C17H25F2N3O2 — CID 71923833

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)NC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H25F2N3O2/c1-12(13-3-4-15(18)16(19)11-13)21-17(23)20-7-10-22-8-5-14(24-2)6-9-22/h3-4,11-12,14H,5-10H2,1-2H3,(H2,20,21,23)
InChIKeyQHUULBATBSFPJR-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.44
Rot. Bonds6

About 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (PubChem CID 71923833) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
PubChem CID71923833
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)NC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H25F2N3O2/c1-12(13-3-4-15(18)16(19)11-13)21-17(23)20-7-10-22-8-5-14(24-2)6-9-22/h3-4,11-12,14H,5-10H2,1-2H3,(H2,20,21,23)
InChIKeyQHUULBATBSFPJR-UHFFFAOYSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 97048538
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 136524638
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47033191
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 55793848
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (CID 71923833) is 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is COC1CCN(CCNC(=O)NC(C)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The InChIKey is QHUULBATBSFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-12(13-3-4-15(18)16(19)11-13)21-17(23)20-7-10-22-8-5-14(24-2)6-9-22/h3-4,11-12,14H,5-10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea has a molecular weight of 341.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 71923833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).