[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea

C14H19F2N3O — CID 71976361

IUPAC[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
SMILESCC(c1c(F)cccc1F)N1CCC(NC(N)=O)CC1
InChIInChI=1S/C14H19F2N3O/c1-9(13-11(15)3-2-4-12(13)16)19-7-5-10(6-8-19)18-14(17)20/h2-4,9-10H,5-8H2,1H3,(H3,17,18,20)
InChIKeyNMFCAJHHRAKNHC-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.16
Rot. Bonds3

About [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea

[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea (PubChem CID 71976361) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
PubChem CID71976361
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
SMILESCC(c1c(F)cccc1F)N1CCC(NC(N)=O)CC1
InChIInChI=1S/C14H19F2N3O/c1-9(13-11(15)3-2-4-12(13)16)19-7-5-10(6-8-19)18-14(17)20/h2-4,9-10H,5-8H2,1H3,(H3,17,18,20)
InChIKeyNMFCAJHHRAKNHC-UHFFFAOYSA-N
XLogP2.16
TPSA58.36 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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 87015324
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 107712044
3-amino-1-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321305
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063566
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
CID 167843276
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea
CID 71918180
(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
CID 119899434

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea?
The IUPAC name of [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea (CID 71976361) is [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea is CC(c1c(F)cccc1F)N1CCC(NC(N)=O)CC1.
What is the InChIKey of [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea?
The InChIKey is NMFCAJHHRAKNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9(13-11(15)3-2-4-12(13)16)19-7-5-10(6-8-19)18-14(17)20/h2-4,9-10H,5-8H2,1H3,(H3,17,18,20).
What are the key properties of [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea?
[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea has a molecular weight of 283.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea is sourced from PubChem (CID 71976361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).