1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea

C14H26F2N4O — CID 60606594

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NC2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C14H26F2N4O/c1-19-6-2-11(3-7-19)17-14(21)18-12-4-8-20(9-5-12)10-13(15)16/h11-13H,2-10H2,1H3,(H2,17,18,21)
InChIKeyZZGFOXVRMKYOED-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.11
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 60606594) has the molecular formula C14H26F2N4O and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID60606594
Molecular FormulaC14H26F2N4O
Molecular Weight304.38 g/mol
Exact Mass304.21
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NC2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C14H26F2N4O/c1-19-6-2-11(3-7-19)17-14(21)18-12-4-8-20(9-5-12)10-13(15)16/h11-13H,2-10H2,1H3,(H2,17,18,21)
InChIKeyZZGFOXVRMKYOED-UHFFFAOYSA-N
XLogP1.11
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea (CID 60606594) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NC2CCN(CC(F)F)CC2)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is ZZGFOXVRMKYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4O/c1-19-6-2-11(3-7-19)17-14(21)18-12-4-8-20(9-5-12)10-13(15)16/h11-13H,2-10H2,1H3,(H2,17,18,21).
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 304.38 g/mol, XLogP of 1.11, 4 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-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 60606594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).