3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea

C14H19F2N3O — CID 60805584

IUPAC3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
SMILESCCN(C(=O)Nc1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C14H19F2N3O/c1-2-19(11-5-7-17-8-6-11)14(20)18-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3,(H,18,20)
InChIKeyZHLQFQGZOGSKJA-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.57
Rot. Bonds3

About 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea

3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea (PubChem CID 60805584) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
PubChem CID60805584
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
SMILESCCN(C(=O)Nc1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C14H19F2N3O/c1-2-19(11-5-7-17-8-6-11)14(20)18-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3,(H,18,20)
InChIKeyZHLQFQGZOGSKJA-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 60800156
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
1-(2,2-dimethyloxan-4-yl)-1-ethyl-3-(4-fluoro-2-methylphenyl)urea
CID 74234341
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613190
3-(2,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108063
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea (CID 60805584) is 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea is CCN(C(=O)Nc1ccc(F)cc1F)C1CCNCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea?
The InChIKey is ZHLQFQGZOGSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-2-19(11-5-7-17-8-6-11)14(20)18-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3,(H,18,20).
What are the key properties of 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea?
3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea has a molecular weight of 283.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea is sourced from PubChem (CID 60805584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).