1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea

C15H22FN3O — CID 82734312

IUPAC1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
SMILESCCC1CCCNC1CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-2-11-5-4-8-17-14(11)10-18-15(20)19-13-7-3-6-12(16)9-13/h3,6-7,9,11,14,17H,2,4-5,8,10H2,1H3,(H2,18,19,20)
InChIKeyRHEZIHILUCAZNL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.73
Rot. Bonds4

About 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea

1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea (PubChem CID 82734312) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
PubChem CID82734312
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
SMILESCCC1CCCNC1CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-2-11-5-4-8-17-14(11)10-18-15(20)19-13-7-3-6-12(16)9-13/h3,6-7,9,11,14,17H,2,4-5,8,10H2,1H3,(H2,18,19,20)
InChIKeyRHEZIHILUCAZNL-UHFFFAOYSA-N
XLogP2.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea
CID 82733939
N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107014745
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
CID 22966109
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 22966146

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea (CID 82734312) is 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea is CCC1CCCNC1CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea?
The InChIKey is RHEZIHILUCAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-11-5-4-8-17-14(11)10-18-15(20)19-13-7-3-6-12(16)9-13/h3,6-7,9,11,14,17H,2,4-5,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea?
1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea has a molecular weight of 279.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 82734312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).