4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide

C15H26F2N4O2 — CID 49128673

IUPAC4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C15H26F2N4O2/c1-18-14(22)11-2-4-12(5-3-11)19-15(23)21-8-6-20(7-9-21)10-13(16)17/h11-13H,2-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyKKYNHYMGVQSDQN-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.88
Rot. Bonds4

About 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide (PubChem CID 49128673) has the molecular formula C15H26F2N4O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide
PubChem CID49128673
Molecular FormulaC15H26F2N4O2
Molecular Weight332.40 g/mol
Exact Mass332.20
IUPAC Name4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C15H26F2N4O2/c1-18-14(22)11-2-4-12(5-3-11)19-15(23)21-8-6-20(7-9-21)10-13(16)17/h11-13H,2-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyKKYNHYMGVQSDQN-UHFFFAOYSA-N
XLogP0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide 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 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide (CID 49128673) is 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide is CNC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide?
The InChIKey is KKYNHYMGVQSDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N4O2/c1-18-14(22)11-2-4-12(5-3-11)19-15(23)21-8-6-20(7-9-21)10-13(16)17/h11-13H,2-10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 49128673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).