1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea

C13H18FN3O — CID 79044134

IUPAC1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
SMILESCC1NCCCC1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-9-12(3-2-8-15-9)17-13(18)16-11-6-4-10(14)5-7-11/h4-7,9,12,15H,2-3,8H2,1H3,(H2,16,17,18)
InChIKeyJPHGTWWFOPSAMR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.09
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea

1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea (PubChem CID 79044134) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
PubChem CID79044134
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
SMILESCC1NCCCC1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-9-12(3-2-8-15-9)17-13(18)16-11-6-4-10(14)5-7-11/h4-7,9,12,15H,2-3,8H2,1H3,(H2,16,17,18)
InChIKeyJPHGTWWFOPSAMR-UHFFFAOYSA-N
XLogP2.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 114695150
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
CID 120575715

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea (CID 79044134) is 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea is CC1NCCCC1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea?
The InChIKey is JPHGTWWFOPSAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-12(3-2-8-15-9)17-13(18)16-11-6-4-10(14)5-7-11/h4-7,9,12,15H,2-3,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea?
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea has a molecular weight of 251.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea is sourced from PubChem (CID 79044134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).