N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide

C20H23F6N3O2 — CID 3772310

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H23F6N3O2/c21-19(22,23)14-10-15(20(24,25)26)12-16(11-14)27-18(31)29-8-6-28(7-9-29)17(30)13-4-2-1-3-5-13/h10-13H,1-9H2,(H,27,31)
InChIKeyFASMCYVHPVKROT-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.98
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide (PubChem CID 3772310) has the molecular formula C20H23F6N3O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
PubChem CID3772310
Molecular FormulaC20H23F6N3O2
Molecular Weight451.41 g/mol
Exact Mass451.17
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H23F6N3O2/c21-19(22,23)14-10-15(20(24,25)26)12-16(11-14)27-18(31)29-8-6-28(7-9-29)17(30)13-4-2-1-3-5-13/h10-13H,1-9H2,(H,27,31)
InChIKeyFASMCYVHPVKROT-UHFFFAOYSA-N
XLogP4.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide (CID 3772310) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
The InChIKey is FASMCYVHPVKROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6N3O2/c21-19(22,23)14-10-15(20(24,25)26)12-16(11-14)27-18(31)29-8-6-28(7-9-29)17(30)13-4-2-1-3-5-13/h10-13H,1-9H2,(H,27,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide has a molecular weight of 451.41 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 3772310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).