1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

C18H26FN3O2 — CID 71860616

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)NC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C18H26FN3O2/c1-24-13-7-10-22(11-8-13)12-9-20-18(23)21-17-6-5-14-15(17)3-2-4-16(14)19/h2-4,13,17H,5-12H2,1H3,(H2,20,21,23)
InChIKeyXRMMCMKDOITWIQ-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.22
Rot. Bonds5

About 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (PubChem CID 71860616) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
PubChem CID71860616
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)NC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C18H26FN3O2/c1-24-13-7-10-22(11-8-13)12-9-20-18(23)21-17-6-5-14-15(17)3-2-4-16(14)19/h2-4,13,17H,5-12H2,1H3,(H2,20,21,23)
InChIKeyXRMMCMKDOITWIQ-UHFFFAOYSA-N
XLogP2.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 96562833
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242744
1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838353
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71923833
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838349
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97225938
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838338
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 110911373
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 96562907

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (CID 71860616) is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is COC1CCN(CCNC(=O)NC2CCc3c(F)cccc32)CC1.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The InChIKey is XRMMCMKDOITWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-24-13-7-10-22(11-8-13)12-9-20-18(23)21-17-6-5-14-15(17)3-2-4-16(14)19/h2-4,13,17H,5-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea has a molecular weight of 335.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 71860616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).