1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride

C13H19ClFN3O — CID 165429684

IUPAC1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
SMILESCc1ccc(NC(=O)NC2CCNCC2)cc1F.Cl
InChIInChI=1S/C13H18FN3O.ClH/c1-9-2-3-11(8-12(9)14)17-13(18)16-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7H2,1H3,(H2,16,17,18);1H
InChIKeyNLXKJNWWNMRRHB-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride

1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride (PubChem CID 165429684) has the molecular formula C13H19ClFN3O and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
PubChem CID165429684
Molecular FormulaC13H19ClFN3O
Molecular Weight287.77 g/mol
Exact Mass287.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
SMILESCc1ccc(NC(=O)NC2CCNCC2)cc1F.Cl
InChIInChI=1S/C13H18FN3O.ClH/c1-9-2-3-11(8-12(9)14)17-13(18)16-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7H2,1H3,(H2,16,17,18);1H
InChIKeyNLXKJNWWNMRRHB-UHFFFAOYSA-N
XLogP2.43
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154903223
1-(3-fluoro-4-methylphenyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 165429682
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077
CID 161004639
CID 161004639
methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 86842324
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride (CID 165429684) is 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride is Cc1ccc(NC(=O)NC2CCNCC2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride?
The InChIKey is NLXKJNWWNMRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O.ClH/c1-9-2-3-11(8-12(9)14)17-13(18)16-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride?
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride is sourced from PubChem (CID 165429684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).