N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide

C20H32F4N4O2 — CID 86952573

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C20H32F4N4O2/c21-18(22)20(23,24)14-26-10-12-28(13-11-26)19(30)25-16-6-8-27(9-7-16)17(29)15-4-2-1-3-5-15/h15-16,18H,1-14H2,(H,25,30)
InChIKeyOMAOHRZEGNTCSV-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.79
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide (PubChem CID 86952573) has the molecular formula C20H32F4N4O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
PubChem CID86952573
Molecular FormulaC20H32F4N4O2
Molecular Weight436.49 g/mol
Exact Mass436.25
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C20H32F4N4O2/c21-18(22)20(23,24)14-26-10-12-28(13-11-26)19(30)25-16-6-8-27(9-7-16)17(29)15-4-2-1-3-5-15/h15-16,18H,1-14H2,(H,25,30)
InChIKeyOMAOHRZEGNTCSV-UHFFFAOYSA-N
XLogP2.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide (CID 86952573) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
The InChIKey is OMAOHRZEGNTCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F4N4O2/c21-18(22)20(23,24)14-26-10-12-28(13-11-26)19(30)25-16-6-8-27(9-7-16)17(29)15-4-2-1-3-5-15/h15-16,18H,1-14H2,(H,25,30).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide is sourced from PubChem (CID 86952573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).