1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C21H26F2N4O2 — CID 55769009

IUPAC1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H26F2N4O2/c22-20(23)29-19-6-4-16(5-7-19)8-12-25-21(28)26-17-9-13-27(14-10-17)15-18-3-1-2-11-24-18/h1-7,11,17,20H,8-10,12-15H2,(H2,25,26,28)
InChIKeyDNXJUSGKUVUQMN-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.19
Rot. Bonds8

About 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 55769009) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID55769009
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H26F2N4O2/c22-20(23)29-19-6-4-16(5-7-19)8-12-25-21(28)26-17-9-13-27(14-10-17)15-18-3-1-2-11-24-18/h1-7,11,17,20H,8-10,12-15H2,(H2,25,26,28)
InChIKeyDNXJUSGKUVUQMN-UHFFFAOYSA-N
XLogP3.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55740254
2-methyl-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111992000
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049667
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111479509
N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
CID 110039297
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111991365

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 55769009) is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is O=C(NCCc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is DNXJUSGKUVUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c22-20(23)29-19-6-4-16(5-7-19)8-12-25-21(28)26-17-9-13-27(14-10-17)15-18-3-1-2-11-24-18/h1-7,11,17,20H,8-10,12-15H2,(H2,25,26,28).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 404.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 55769009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).