4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide

C20H34F2N4O2 — CID 24901403

IUPAC4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)C2CCC(NC(=O)N3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C20H34F2N4O2/c1-15(2)24-11-13-25(14-12-24)18(27)16-3-5-17(6-4-16)23-19(28)26-9-7-20(21,22)8-10-26/h15-17H,3-14H2,1-2H3,(H,23,28)
InChIKeyKZIVXXMPWOUSMV-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.54
Rot. Bonds3

About 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide

4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 24901403) has the molecular formula C20H34F2N4O2 and a molecular weight of 400.51 g/mol. Its IUPAC name is 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide
PubChem CID24901403
Molecular FormulaC20H34F2N4O2
Molecular Weight400.51 g/mol
Exact Mass400.26
IUPAC Name4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)C2CCC(NC(=O)N3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C20H34F2N4O2/c1-15(2)24-11-13-25(14-12-24)18(27)16-3-5-17(6-4-16)23-19(28)26-9-7-20(21,22)8-10-26/h15-17H,3-14H2,1-2H3,(H,23,28)
InChIKeyKZIVXXMPWOUSMV-UHFFFAOYSA-N
XLogP2.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-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 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide (CID 24901403) is 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide is CC(C)N1CCN(C(=O)C2CCC(NC(=O)N3CCC(F)(F)CC3)CC2)CC1.
What is the InChIKey of 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is KZIVXXMPWOUSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2N4O2/c1-15(2)24-11-13-25(14-12-24)18(27)16-3-5-17(6-4-16)23-19(28)26-9-7-20(21,22)8-10-26/h15-17H,3-14H2,1-2H3,(H,23,28).
What are the key properties of 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide?
4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 24901403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).