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

C15H22FN3O — CID 60913033

IUPAC3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
SMILESCN(CCC1CCNCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-19(11-8-12-6-9-17-10-7-12)15(20)18-14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3,(H,18,20)
InChIKeyCNCPBGVZJSAVCF-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds4

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

3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea (PubChem CID 60913033) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
PubChem CID60913033
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
SMILESCN(CCC1CCNCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-19(11-8-12-6-9-17-10-7-12)15(20)18-14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3,(H,18,20)
InChIKeyCNCPBGVZJSAVCF-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
CID 54945242
4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
1-(2-chloroethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441663
1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441619
3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
CID 79720369
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
CID 120663420
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
4-ethyl-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60915091

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea (CID 60913033) is 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea is CN(CCC1CCNCC1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea?
The InChIKey is CNCPBGVZJSAVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19(11-8-12-6-9-17-10-7-12)15(20)18-14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea?
3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea has a molecular weight of 279.36 g/mol, XLogP of 2.68, 4 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-(2-piperidin-4-ylethyl)urea is sourced from PubChem (CID 60913033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).