1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea

C18H27F2N3O2 — CID 48957306

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccccc1CNC(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C18H27F2N3O2/c1-13(2)25-16-6-4-3-5-14(16)11-21-18(24)22-15-7-9-23(10-8-15)12-17(19)20/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,22,24)
InChIKeyHVIDWLYCGHWVEL-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.00
Rot. Bonds7

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (PubChem CID 48957306) has the molecular formula C18H27F2N3O2 and a molecular weight of 355.43 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
PubChem CID48957306
Molecular FormulaC18H27F2N3O2
Molecular Weight355.43 g/mol
Exact Mass355.21
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccccc1CNC(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C18H27F2N3O2/c1-13(2)25-16-6-4-3-5-14(16)11-21-18(24)22-15-7-9-23(10-8-15)12-17(19)20/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,22,24)
InChIKeyHVIDWLYCGHWVEL-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48955806
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
CID 52534478
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55746318
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 167769772
1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea
CID 91812562
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (CID 48957306) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1ccccc1CNC(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is HVIDWLYCGHWVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O2/c1-13(2)25-16-6-4-3-5-14(16)11-21-18(24)22-15-7-9-23(10-8-15)12-17(19)20/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 355.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 48957306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).