3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea

C14H20FN3O — CID 106629819

IUPAC3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCN(CC1CCCCN1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O/c1-18(10-13-4-2-3-9-16-13)14(19)17-12-7-5-11(15)6-8-12/h5-8,13,16H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyHJRSPHCLRCAWTH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.43
Rot. Bonds3

About 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea

3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629819) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
PubChem CID106629819
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCN(CC1CCCCN1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O/c1-18(10-13-4-2-3-9-16-13)14(19)17-12-7-5-11(15)6-8-12/h5-8,13,16H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyHJRSPHCLRCAWTH-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815
N-(4-fluorophenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273842
1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629695
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613136
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
1-(2-chloroethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441663
3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
CID 60913033

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea (CID 106629819) is 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea is CN(CC1CCCCN1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The InChIKey is HJRSPHCLRCAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(10-13-4-2-3-9-16-13)14(19)17-12-7-5-11(15)6-8-12/h5-8,13,16H,2-4,9-10H2,1H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea has a molecular weight of 265.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).